(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

C245H241Cl11F9N37O40S6 — CID 167595014

IUPAC(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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(Cl)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c([N+](=O)[O-])c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1
InChIInChI=1S/C42H42ClF3N6O6S.C41H39Cl2F3N6O7S.C41H40Cl2F2N6O7S.C41H42ClFN6O6S.C40H39Cl3N6O6S.C40H39Cl2N7O8S/c1-22-26(5-3-6-27(22)33-18-47-34(41(49-33)57-2)21-51-15-14-24(53)20-51)29-7-4-8-30(37(29)43)40-48-32-17-31-28(36(38(32)58-40)42(44,45)46)11-12-35(31)52-16-13-23(19-52)39(54)50-59(55,56)25-9-10-25;1-57-40-32(20-51-14-13-22(53)19-51)47-17-31(49-40)27-6-2-4-24(34(27)42)25-5-3-7-28(35(25)43)39-48-30-16-29-26(36(37(30)58-39)59-41(44,45)46)10-11-33(29)52-15-12-21(18-52)38(54)50-60(55,56)23-8-9-23;1-56-40-32(20-50-14-13-22(52)19-50)46-17-31(48-40)27-6-2-4-24(34(27)42)25-5-3-7-28(35(25)43)39-47-30-16-29-26(36(37(30)57-39)58-41(44)45)10-11-33(29)51-15-12-21(18-51)38(53)49-59(54,55)23-8-9-23;1-22-26(5-3-6-27(22)33-18-44-34(41(46-33)54-2)21-48-15-14-24(50)20-48)28-7-4-8-30(36(28)42)40-45-32-17-31-29(37(43)38(32)55-40)11-12-35(31)49-16-13-23(19-49)39(51)47-56(52,53)25-9-10-25;1-54-40-32(20-48-14-13-22(50)19-48)44-17-31(46-40)27-6-2-4-24(34(27)41)25-5-3-7-28(35(25)42)39-45-30-16-29-26(36(43)37(30)55-39)10-11-33(29)49-15-12-21(18-49)38(51)47-56(52,53)23-8-9-23;1-56-40-32(20-47-14-13-22(50)19-47)43-17-31(45-40)27-6-2-4-24(34(27)41)25-5-3-7-28(35(25)42)39-44-30-16-29-26(36(49(52)53)37(30)57-39)10-11-33(29)48-15-12-21(18-48)38(51)46-58(54,55)23-8-9-23/h3-8,17-18,23-25,35,53H,9-16,19-21H2,1-2H3,(H,50,54);2-7,16-17,21-23,33,53H,8-15,18-20H2,1H3,(H,50,54);2-7,16-17,21-23,33,41,52H,8-15,18-20H2,1H3,(H,49,53);3-8,17-18,23-25,35,50H,9-16,19-21H2,1-2H3,(H,47,51);2-7,16-17,21-23,33,50H,8-15,18-20H2,1H3,(H,47,51);2-7,16-17,21-23,33,50H,8-15,18-20H2,1H3,(H,46,51)/t23-,24-,35-;2*21-,22-,33-;23-,24-,35-;2*21-,22-,33-/m111111/s1
InChIKeyIYGJZVXXFJACOU-DVMLKJOISA-N
MW5097.21 g/mol
LogP41.04
Rot. Bonds64

About (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

(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 (PubChem CID 167595014) has the molecular formula C245H241Cl11F9N37O40S6 and a molecular weight of 5097.21 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167595014
Molecular FormulaC245H241Cl11F9N37O40S6
Molecular Weight5097.21 g/mol
Exact Mass5088.27
IUPAC Name(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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(Cl)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c([N+](=O)[O-])c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1
InChIInChI=1S/C42H42ClF3N6O6S.C41H39Cl2F3N6O7S.C41H40Cl2F2N6O7S.C41H42ClFN6O6S.C40H39Cl3N6O6S.C40H39Cl2N7O8S/c1-22-26(5-3-6-27(22)33-18-47-34(41(49-33)57-2)21-51-15-14-24(53)20-51)29-7-4-8-30(37(29)43)40-48-32-17-31-28(36(38(32)58-40)42(44,45)46)11-12-35(31)52-16-13-23(19-52)39(54)50-59(55,56)25-9-10-25;1-57-40-32(20-51-14-13-22(53)19-51)47-17-31(49-40)27-6-2-4-24(34(27)42)25-5-3-7-28(35(25)43)39-48-30-16-29-26(36(37(30)58-39)59-41(44,45)46)10-11-33(29)52-15-12-21(18-52)38(54)50-60(55,56)23-8-9-23;1-56-40-32(20-50-14-13-22(52)19-50)46-17-31(48-40)27-6-2-4-24(34(27)42)25-5-3-7-28(35(25)43)39-47-30-16-29-26(36(37(30)57-39)58-41(44)45)10-11-33(29)51-15-12-21(18-51)38(53)49-59(54,55)23-8-9-23;1-22-26(5-3-6-27(22)33-18-44-34(41(46-33)54-2)21-48-15-14-24(50)20-48)28-7-4-8-30(36(28)42)40-45-32-17-31-29(37(43)38(32)55-40)11-12-35(31)49-16-13-23(19-49)39(51)47-56(52,53)25-9-10-25;1-54-40-32(20-48-14-13-22(50)19-48)44-17-31(46-40)27-6-2-4-24(34(27)41)25-5-3-7-28(35(25)42)39-45-30-16-29-26(36(43)37(30)55-39)10-11-33(29)49-15-12-21(18-49)38(51)47-56(52,53)23-8-9-23;1-56-40-32(20-47-14-13-22(50)19-47)43-17-31(45-40)27-6-2-4-24(34(27)41)25-5-3-7-28(35(25)42)39-44-30-16-29-26(36(49(52)53)37(30)57-39)10-11-33(29)48-15-12-21(18-48)38(51)46-58(54,55)23-8-9-23/h3-8,17-18,23-25,35,53H,9-16,19-21H2,1-2H3,(H,50,54);2-7,16-17,21-23,33,53H,8-15,18-20H2,1H3,(H,50,54);2-7,16-17,21-23,33,41,52H,8-15,18-20H2,1H3,(H,49,53);3-8,17-18,23-25,35,50H,9-16,19-21H2,1-2H3,(H,47,51);2-7,16-17,21-23,33,50H,8-15,18-20H2,1H3,(H,47,51);2-7,16-17,21-23,33,50H,8-15,18-20H2,1H3,(H,46,51)/t23-,24-,35-;2*21-,22-,33-;23-,24-,35-;2*21-,22-,33-/m111111/s1
InChIKeyIYGJZVXXFJACOU-DVMLKJOISA-N
XLogP41.04
TPSA967.54 Ų
H-Bond Donors12
H-Bond Acceptors70
Rotatable Bonds64
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005097.21
LogP ≤ 541.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1070

Analyze (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 with MolForge

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Related Compounds

(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
(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)-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-[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
(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-fluorophenyl)phenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 169040806
ethyl 2-[[2-[2-chloro-3-[(1R)-1-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxy-3-(trifluoromethyl)pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]phenyl]-7-fluoro-1,3-benzoxazol-5-yl]methylamino]acetate
CID 170387080
[2-chloro-3-[2-chloro-3-[5-[(3-hydroxyazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl] trifluoromethanesulfonate
CID 167374330
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
(3R)-1-[[7-fluoro-2-[2-fluoro-3-[(1R)-1-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxy-3-(trifluoromethyl)pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 170387238
2-[1-[[5-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 139457771

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(Cl)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2C)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c([N+](=O)[O-])c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5CC5)C4)c3Cl)c2Cl)cnc1CN1CC[C@@H](O)C1.
What is the InChIKey of (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?
The InChIKey is IYGJZVXXFJACOU-DVMLKJOISA-N. The full InChI is InChI=1S/C42H42ClF3N6O6S.C41H39Cl2F3N6O7S.C41H40Cl2F2N6O7S.C41H42ClFN6O6S.C40H39Cl3N6O6S.C40H39Cl2N7O8S/c1-22-26(5-3-6-27(22)33-18-47-34(41(49-33)57-2)21-51-15-14-24(53)20-51)29-7-4-8-30(37(29)43)40-48-32-17-31-28(36(38(32)58-40)42(44,45)46)11-12-35(31)52-16-13-23(19-52)39(54)50-59(55,56)25-9-10-25;1-57-40-32(20-51-14-13-22(53)19-51)47-17-31(49-40)27-6-2-4-24(34(27)42)25-5-3-7-28(35(25)43)39-48-30-16-29-26(36(37(30)58-39)59-41(44,45)46)10-11-33(29)52-15-12-21(18-52)38(54)50-60(55,56)23-8-9-23;1-56-40-32(20-50-14-13-22(52)19-50)46-17-31(48-40)27-6-2-4-24(34(27)42)25-5-3-7-28(35(25)43)39-47-30-16-29-26(36(37(30)57-39)58-41(44)45)10-11-33(29)51-15-12-21(18-51)38(53)49-59(54,55)23-8-9-23;1-22-26(5-3-6-27(22)33-18-44-34(41(46-33)54-2)21-48-15-14-24(50)20-48)28-7-4-8-30(36(28)42)40-45-32-17-31-29(37(43)38(32)55-40)11-12-35(31)49-16-13-23(19-49)39(51)47-56(52,53)25-9-10-25;1-54-40-32(20-48-14-13-22(50)19-48)44-17-31(46-40)27-6-2-4-24(34(27)41)25-5-3-7-28(35(25)42)39-45-30-16-29-26(36(43)37(30)55-39)10-11-33(29)49-15-12-21(18-49)38(51)47-56(52,53)23-8-9-23;1-56-40-32(20-47-14-13-22(50)19-47)43-17-31(45-40)27-6-2-4-24(34(27)41)25-5-3-7-28(35(25)42)39-44-30-16-29-26(36(49(52)53)37(30)57-39)10-11-33(29)48-15-12-21(18-48)38(51)46-58(54,55)23-8-9-23/h3-8,17-18,23-25,35,53H,9-16,19-21H2,1-2H3,(H,50,54);2-7,16-17,21-23,33,53H,8-15,18-20H2,1H3,(H,50,54);2-7,16-17,21-23,33,41,52H,8-15,18-20H2,1H3,(H,49,53);3-8,17-18,23-25,35,50H,9-16,19-21H2,1-2H3,(H,47,51);2-7,16-17,21-23,33,50H,8-15,18-20H2,1H3,(H,47,51);2-7,16-17,21-23,33,50H,8-15,18-20H2,1H3,(H,46,51)/t23-,24-,35-;2*21-,22-,33-;23-,24-,35-;2*21-,22-,33-/m111111/s1.
What are the key properties of (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?
(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 has a molecular weight of 5097.21 g/mol, XLogP of 41.04, 64 rotatable bonds, 12 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167595014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).