(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid

C390H383Cl7F13N53O54 — CID 167541349

IUPAC(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
SMILESCOc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C#N)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C#N)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(Cl)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c([N+](=O)[O-])c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1
InChIInChI=1S/C40H40F3N5O6.C40H40F3N5O5.C40H41F2N5O6.C40H40N6O5.C39H40ClN5O5.C39H40FN5O5.C39H40N6O7.C38H34Cl2F3N5O5.C38H34Cl2N6O5.C37H34Cl2FN5O5/c1-21-25(6-4-8-27(21)32-17-44-33(38(46-32)52-3)20-47-14-13-24(49)19-47)26-7-5-9-28(22(26)2)37-45-31-16-30-29(35(36(31)53-37)54-40(41,42)43)10-11-34(30)48-15-12-23(18-48)39(50)51;1-21-25(6-4-8-27(21)32-17-44-33(38(46-32)52-3)20-47-14-13-24(49)19-47)26-7-5-9-28(22(26)2)37-45-31-16-30-29(35(36(31)53-37)40(41,42)43)10-11-34(30)48-15-12-23(18-48)39(50)51;1-21-25(6-4-8-27(21)32-17-43-33(38(45-32)51-3)20-46-14-13-24(48)19-46)26-7-5-9-28(22(26)2)37-44-31-16-30-29(35(36(31)52-37)53-40(41)42)10-11-34(30)47-15-12-23(18-47)39(49)50;1-22-26(6-4-8-28(22)34-18-42-35(39(44-34)50-3)21-45-14-13-25(47)20-45)27-7-5-9-29(23(27)2)38-43-33-16-31-30(32(17-41)37(33)51-38)10-11-36(31)46-15-12-24(19-46)40(48)49;2*1-21-25(6-4-8-27(21)32-17-41-33(38(43-32)49-3)20-44-14-13-24(46)19-44)26-7-5-9-28(22(26)2)37-42-31-16-30-29(35(40)36(31)50-37)10-11-34(30)45-15-12-23(18-45)39(47)48;1-21-25(6-4-8-27(21)32-17-40-33(38(42-32)51-3)20-43-14-13-24(46)19-43)26-7-5-9-28(22(26)2)37-41-31-16-30-29(35(45(49)50)36(31)52-37)10-11-34(30)44-15-12-23(18-44)39(47)48;1-52-36-29(18-47-12-11-20(49)17-47)44-15-28(46-36)24-6-2-4-22(32(24)39)23-5-3-7-25(33(23)40)35-45-27-14-26-21(31(34(27)53-35)38(41,42)43)8-9-30(26)48-13-10-19(16-48)37(50)51;1-50-37-31(19-45-12-11-21(47)18-45)42-16-30(44-37)25-6-2-4-23(33(25)39)24-5-3-7-26(34(24)40)36-43-29-14-27-22(28(15-41)35(29)51-36)8-9-32(27)46-13-10-20(17-46)38(48)49;1-49-36-29(18-44-12-11-20(46)17-44)41-15-28(43-36)24-6-2-4-21(31(24)38)22-5-3-7-25(32(22)39)35-42-27-14-26-23(33(40)34(27)50-35)8-9-30(26)45-13-10-19(16-45)37(47)48/h4-9,16-17,23-24,34,49H,10-15,18-20H2,1-3H3,(H,50,51);4-9,16-17,23-24,34,49H,10-15,18-20H2,1-3H3,(H,50,51);4-9,16-17,23-24,34,40,48H,10-15,18-20H2,1-3H3,(H,49,50);4-9,16,18,24-25,36,47H,10-15,19-21H2,1-3H3,(H,48,49);2*4-9,16-17,23-24,34,46H,10-15,18-20H2,1-3H3,(H,47,48);4-9,16-17,23-24,34,46H,10-15,18-20H2,1-3H3,(H,47,48);2-7,14-15,19-20,30,49H,8-13,16-18H2,1H3,(H,50,51);2-7,14,16,20-21,32,47H,8-13,17-19H2,1H3,(H,48,49);2-7,14-15,19-20,30,46H,8-13,16-18H2,1H3,(H,47,48)/t3*23-,24-,34-;24-,25-,36-;3*23-,24-,34-;19-,20-,30-;20-,21-,32-;19-,20-,30-/m1111111111/s1
InChIKeyBFSPQVMVRXVSOC-XJEIPNQVSA-N
MW7171.82 g/mol
LogP68.24
Rot. Bonds84

About (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid

(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid (PubChem CID 167541349) has the molecular formula C390H383Cl7F13N53O54 and a molecular weight of 7171.82 g/mol. Its IUPAC name is (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
PubChem CID167541349
Molecular FormulaC390H383Cl7F13N53O54
Molecular Weight7171.82 g/mol
Exact Mass7163.65
IUPAC Name(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
SMILESCOc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C#N)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C#N)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(Cl)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c([N+](=O)[O-])c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1
InChIInChI=1S/C40H40F3N5O6.C40H40F3N5O5.C40H41F2N5O6.C40H40N6O5.C39H40ClN5O5.C39H40FN5O5.C39H40N6O7.C38H34Cl2F3N5O5.C38H34Cl2N6O5.C37H34Cl2FN5O5/c1-21-25(6-4-8-27(21)32-17-44-33(38(46-32)52-3)20-47-14-13-24(49)19-47)26-7-5-9-28(22(26)2)37-45-31-16-30-29(35(36(31)53-37)54-40(41,42)43)10-11-34(30)48-15-12-23(18-48)39(50)51;1-21-25(6-4-8-27(21)32-17-44-33(38(46-32)52-3)20-47-14-13-24(49)19-47)26-7-5-9-28(22(26)2)37-45-31-16-30-29(35(36(31)53-37)40(41,42)43)10-11-34(30)48-15-12-23(18-48)39(50)51;1-21-25(6-4-8-27(21)32-17-43-33(38(45-32)51-3)20-46-14-13-24(48)19-46)26-7-5-9-28(22(26)2)37-44-31-16-30-29(35(36(31)52-37)53-40(41)42)10-11-34(30)47-15-12-23(18-47)39(49)50;1-22-26(6-4-8-28(22)34-18-42-35(39(44-34)50-3)21-45-14-13-25(47)20-45)27-7-5-9-29(23(27)2)38-43-33-16-31-30(32(17-41)37(33)51-38)10-11-36(31)46-15-12-24(19-46)40(48)49;2*1-21-25(6-4-8-27(21)32-17-41-33(38(43-32)49-3)20-44-14-13-24(46)19-44)26-7-5-9-28(22(26)2)37-42-31-16-30-29(35(40)36(31)50-37)10-11-34(30)45-15-12-23(18-45)39(47)48;1-21-25(6-4-8-27(21)32-17-40-33(38(42-32)51-3)20-43-14-13-24(46)19-43)26-7-5-9-28(22(26)2)37-41-31-16-30-29(35(45(49)50)36(31)52-37)10-11-34(30)44-15-12-23(18-44)39(47)48;1-52-36-29(18-47-12-11-20(49)17-47)44-15-28(46-36)24-6-2-4-22(32(24)39)23-5-3-7-25(33(23)40)35-45-27-14-26-21(31(34(27)53-35)38(41,42)43)8-9-30(26)48-13-10-19(16-48)37(50)51;1-50-37-31(19-45-12-11-21(47)18-45)42-16-30(44-37)25-6-2-4-23(33(25)39)24-5-3-7-26(34(24)40)36-43-29-14-27-22(28(15-41)35(29)51-36)8-9-32(27)46-13-10-20(17-46)38(48)49;1-49-36-29(18-44-12-11-20(46)17-44)41-15-28(43-36)24-6-2-4-21(31(24)38)22-5-3-7-25(32(22)39)35-42-27-14-26-23(33(40)34(27)50-35)8-9-30(26)45-13-10-19(16-45)37(47)48/h4-9,16-17,23-24,34,49H,10-15,18-20H2,1-3H3,(H,50,51);4-9,16-17,23-24,34,49H,10-15,18-20H2,1-3H3,(H,50,51);4-9,16-17,23-24,34,40,48H,10-15,18-20H2,1-3H3,(H,49,50);4-9,16,18,24-25,36,47H,10-15,19-21H2,1-3H3,(H,48,49);2*4-9,16-17,23-24,34,46H,10-15,18-20H2,1-3H3,(H,47,48);4-9,16-17,23-24,34,46H,10-15,18-20H2,1-3H3,(H,47,48);2-7,14-15,19-20,30,49H,8-13,16-18H2,1H3,(H,50,51);2-7,14,16,20-21,32,47H,8-13,17-19H2,1H3,(H,48,49);2-7,14-15,19-20,30,46H,8-13,16-18H2,1H3,(H,47,48)/t3*23-,24-,34-;24-,25-,36-;3*23-,24-,34-;19-,20-,30-;20-,21-,32-;19-,20-,30-/m1111111111/s1
InChIKeyBFSPQVMVRXVSOC-XJEIPNQVSA-N
XLogP68.24
TPSA1359.68 Ų
H-Bond Donors20
H-Bond Acceptors96
Rotatable Bonds84
Heavy Atoms517
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007171.82
LogP ≤ 568.24
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1096

Analyze (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3R)-1-[(5R)-8-chloro-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(difluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[2-chloro-3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[2-chloro-3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide
CID 167595014
(3R)-1-[(5R)-8-chloro-2-[2-chloro-3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]phenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]phenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 167698026
(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide
CID 167688289
(3R)-1-[(5R)-2-[3-[2-chloro-3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-8-(difluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-cyclopropylsulfonylpyrrolidine-3-carboxamide
CID 167696713
(3R)-1-[(5R)-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 166036731
(3R)-1-[(5R)-2-[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-8-(difluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide
CID 166036815
lithium;(3R)-1-[2-[3-[(1S)-1-[[3-chloro-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-4-yl]-2-methylphenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[[5-chloro-2-methoxy-4-[[(1S)-4-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methyl]pyrrolidin-3-ol;methyl (3R)-1-[2-(3-bromo-2-methylphenyl)-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylate;methyl (3R)-1-[2-[3-[(1S)-1-[[3-chloro-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-4-yl]-2-methylphenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylate;hydroxide
CID 167582621
1-[(5S)-2-[2-chloro-3-(2-methylphenyl)phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]azetidine-3-carboxylic acid
CID 169040758
1-[(5S)-2-[2-chloro-3-(2-fluorophenyl)phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]azetidine-3-carboxylic acid
CID 169040862
(3R)-1-[(5R)-8-cyano-2-[3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-5-yl]pyrrolidine-3-carboxylic acid
CID 166036825
1-[(5S)-2-[2-chloro-3-(4-fluorophenyl)phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]azetidine-3-carboxylic acid
CID 169040750
1-[[7-chloro-2-[3-[3-[7-chloro-5-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-2-yl]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 135147921

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid (CID 167541349) is (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid is COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C#N)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C#N)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(Cl)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c([N+](=O)[O-])c5o4)CC[C@H]6N4CC[C@@H](C(=O)O)C4)c3C)c2C)cnc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is BFSPQVMVRXVSOC-XJEIPNQVSA-N. The full InChI is InChI=1S/C40H40F3N5O6.C40H40F3N5O5.C40H41F2N5O6.C40H40N6O5.C39H40ClN5O5.C39H40FN5O5.C39H40N6O7.C38H34Cl2F3N5O5.C38H34Cl2N6O5.C37H34Cl2FN5O5/c1-21-25(6-4-8-27(21)32-17-44-33(38(46-32)52-3)20-47-14-13-24(49)19-47)26-7-5-9-28(22(26)2)37-45-31-16-30-29(35(36(31)53-37)54-40(41,42)43)10-11-34(30)48-15-12-23(18-48)39(50)51;1-21-25(6-4-8-27(21)32-17-44-33(38(46-32)52-3)20-47-14-13-24(49)19-47)26-7-5-9-28(22(26)2)37-45-31-16-30-29(35(36(31)53-37)40(41,42)43)10-11-34(30)48-15-12-23(18-48)39(50)51;1-21-25(6-4-8-27(21)32-17-43-33(38(45-32)51-3)20-46-14-13-24(48)19-46)26-7-5-9-28(22(26)2)37-44-31-16-30-29(35(36(31)52-37)53-40(41)42)10-11-34(30)47-15-12-23(18-47)39(49)50;1-22-26(6-4-8-28(22)34-18-42-35(39(44-34)50-3)21-45-14-13-25(47)20-45)27-7-5-9-29(23(27)2)38-43-33-16-31-30(32(17-41)37(33)51-38)10-11-36(31)46-15-12-24(19-46)40(48)49;2*1-21-25(6-4-8-27(21)32-17-41-33(38(43-32)49-3)20-44-14-13-24(46)19-44)26-7-5-9-28(22(26)2)37-42-31-16-30-29(35(40)36(31)50-37)10-11-34(30)45-15-12-23(18-45)39(47)48;1-21-25(6-4-8-27(21)32-17-40-33(38(42-32)51-3)20-43-14-13-24(46)19-43)26-7-5-9-28(22(26)2)37-41-31-16-30-29(35(45(49)50)36(31)52-37)10-11-34(30)44-15-12-23(18-44)39(47)48;1-52-36-29(18-47-12-11-20(49)17-47)44-15-28(46-36)24-6-2-4-22(32(24)39)23-5-3-7-25(33(23)40)35-45-27-14-26-21(31(34(27)53-35)38(41,42)43)8-9-30(26)48-13-10-19(16-48)37(50)51;1-50-37-31(19-45-12-11-21(47)18-45)42-16-30(44-37)25-6-2-4-23(33(25)39)24-5-3-7-26(34(24)40)36-43-29-14-27-22(28(15-41)35(29)51-36)8-9-32(27)46-13-10-20(17-46)38(48)49;1-49-36-29(18-44-12-11-20(46)17-44)41-15-28(43-36)24-6-2-4-21(31(24)38)22-5-3-7-25(32(22)39)35-42-27-14-26-23(33(40)34(27)50-35)8-9-30(26)45-13-10-19(16-45)37(47)48/h4-9,16-17,23-24,34,49H,10-15,18-20H2,1-3H3,(H,50,51);4-9,16-17,23-24,34,49H,10-15,18-20H2,1-3H3,(H,50,51);4-9,16-17,23-24,34,40,48H,10-15,18-20H2,1-3H3,(H,49,50);4-9,16,18,24-25,36,47H,10-15,19-21H2,1-3H3,(H,48,49);2*4-9,16-17,23-24,34,46H,10-15,18-20H2,1-3H3,(H,47,48);4-9,16-17,23-24,34,46H,10-15,18-20H2,1-3H3,(H,47,48);2-7,14-15,19-20,30,49H,8-13,16-18H2,1H3,(H,50,51);2-7,14,16,20-21,32,47H,8-13,17-19H2,1H3,(H,48,49);2-7,14-15,19-20,30,46H,8-13,16-18H2,1H3,(H,47,48)/t3*23-,24-,34-;24-,25-,36-;3*23-,24-,34-;19-,20-,30-;20-,21-,32-;19-,20-,30-/m1111111111/s1.
What are the key properties of (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 7171.82 g/mol, XLogP of 68.24, 84 rotatable bonds, 20 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-cyano-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-chloro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-cyano-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-nitro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167541349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).