tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate

C243H287F3N36O28 — CID 159830632

IUPACtert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c(c3)OCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)cc2)c(CCC(F)(F)F)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)CCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)ccc1-2.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(c3)OCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)cc2)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2c([nH]1)CCCc1cc(-c3ccc(-c4cnc([C@@H]5C[C@@]6(O)C[C@H]6N5C(=O)OC(C)(C)C)[nH]4)cc3)ccc1-2.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)CCc3[nH]c([C@@H]5C[C@H]6C[C@H]6N5C(=O)OC(C)(C)C)nc3-4)ccc1-2.CCc1[nH]c([C@@H]2C[C@@]3(O)C[C@H]3N2C(=O)OC(C)(C)C)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4C[C@H]5C[C@H]5N4C(=O)OC(C)(C)C)nc2-3)cc1
InChIInChI=1S/C43H52N6O5.C42H48N6O4.C41H48N6O5.C40H47F3N6O5.C40H48N6O4.C37H44N6O5/c1-8-29-35(46-38(44-29)33-21-43(52)22-34(43)49(33)40(51)54-42(5,6)7)24-14-12-23(13-15-24)25-16-17-28-26(18-25)10-9-11-30-36(28)47-37(45-30)32-20-27-19-31(27)48(32)39(50)53-41(2,3)4;1-41(2,3)51-39(49)47-31-17-25(31)19-33(47)37-43-29-13-9-23-15-21(7-11-27(23)35(29)45-37)22-8-12-28-24(16-22)10-14-30-36(28)46-38(44-30)34-20-26-18-32(26)48(34)40(50)52-42(4,5)6;1-39(2,3)51-37(48)46-30-17-26(30)18-31(46)36-43-28-9-7-8-25-16-24(14-15-27(25)34(28)45-36)22-10-12-23(13-11-22)29-21-42-35(44-29)32-19-41(50)20-33(41)47(32)38(49)52-40(4,5)6;1-38(2,3)53-36(50)48-19-7-9-29(48)34-44-27(17-18-40(41,42)43)32(46-34)24-13-11-23(12-14-24)25-15-16-26-31(21-25)52-22-28-33(26)47-35(45-28)30-10-8-20-49(30)37(51)54-39(4,5)6;1-39(2,3)49-37(47)45-19-7-9-31(45)35-41-29-17-13-25-21-23(11-15-27(25)33(29)43-35)24-12-16-28-26(22-24)14-18-30-34(28)44-36(42-30)32-10-8-20-46(32)38(48)50-40(4,5)6;1-36(2,3)47-34(44)42-17-7-9-28(42)32-38-20-26(39-32)23-13-11-22(12-14-23)24-15-16-25-30(19-24)46-21-27-31(25)41-33(40-27)29-10-8-18-43(29)35(45)48-37(4,5)6/h12-18,27,31-34,52H,8-11,19-22H2,1-7H3,(H,44,46)(H,45,47);7-8,11-12,15-16,25-26,31-34H,9-10,13-14,17-20H2,1-6H3,(H,43,45)(H,44,46);10-16,21,26,30-33,50H,7-9,17-20H2,1-6H3,(H,42,44)(H,43,45);11-16,21,29-30H,7-10,17-20,22H2,1-6H3,(H,44,46)(H,45,47);11-12,15-16,21-22,31-32H,7-10,13-14,17-20H2,1-6H3,(H,41,43)(H,42,44);11-16,19-20,28-29H,7-10,17-18,21H2,1-6H3,(H,38,39)(H,40,41)/t27-,31-,32+,33+,34-,43-;25-,26-,31-,32-,33+,34+;26-,30-,31+,32+,33-,41-;29-,30-;31-,32-;28-,29-/m111000/s1
InChIKeyNNKMRYRVWGPHNI-AAUZDAJMSA-N
MW4217.19 g/mol
LogP51.10
Rot. Bonds25

About tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate

tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 159830632) has the molecular formula C243H287F3N36O28 and a molecular weight of 4217.19 g/mol. Its IUPAC name is tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate
PubChem CID159830632
Molecular FormulaC243H287F3N36O28
Molecular Weight4217.19 g/mol
Exact Mass4214.21
IUPAC Nametert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c(c3)OCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)cc2)c(CCC(F)(F)F)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)CCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)ccc1-2.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(c3)OCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)cc2)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2c([nH]1)CCCc1cc(-c3ccc(-c4cnc([C@@H]5C[C@@]6(O)C[C@H]6N5C(=O)OC(C)(C)C)[nH]4)cc3)ccc1-2.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)CCc3[nH]c([C@@H]5C[C@H]6C[C@H]6N5C(=O)OC(C)(C)C)nc3-4)ccc1-2.CCc1[nH]c([C@@H]2C[C@@]3(O)C[C@H]3N2C(=O)OC(C)(C)C)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4C[C@H]5C[C@H]5N4C(=O)OC(C)(C)C)nc2-3)cc1
InChIInChI=1S/C43H52N6O5.C42H48N6O4.C41H48N6O5.C40H47F3N6O5.C40H48N6O4.C37H44N6O5/c1-8-29-35(46-38(44-29)33-21-43(52)22-34(43)49(33)40(51)54-42(5,6)7)24-14-12-23(13-15-24)25-16-17-28-26(18-25)10-9-11-30-36(28)47-37(45-30)32-20-27-19-31(27)48(32)39(50)53-41(2,3)4;1-41(2,3)51-39(49)47-31-17-25(31)19-33(47)37-43-29-13-9-23-15-21(7-11-27(23)35(29)45-37)22-8-12-28-24(16-22)10-14-30-36(28)46-38(44-30)34-20-26-18-32(26)48(34)40(50)52-42(4,5)6;1-39(2,3)51-37(48)46-30-17-26(30)18-31(46)36-43-28-9-7-8-25-16-24(14-15-27(25)34(28)45-36)22-10-12-23(13-11-22)29-21-42-35(44-29)32-19-41(50)20-33(41)47(32)38(49)52-40(4,5)6;1-38(2,3)53-36(50)48-19-7-9-29(48)34-44-27(17-18-40(41,42)43)32(46-34)24-13-11-23(12-14-24)25-15-16-26-31(21-25)52-22-28-33(26)47-35(45-28)30-10-8-20-49(30)37(51)54-39(4,5)6;1-39(2,3)49-37(47)45-19-7-9-31(45)35-41-29-17-13-25-21-23(11-15-27(25)33(29)43-35)24-12-16-28-26(22-24)14-18-30-34(28)44-36(42-30)32-10-8-20-46(32)38(48)50-40(4,5)6;1-36(2,3)47-34(44)42-17-7-9-28(42)32-38-20-26(39-32)23-13-11-22(12-14-23)24-15-16-25-30(19-24)46-21-27-31(25)41-33(40-27)29-10-8-18-43(29)35(45)48-37(4,5)6/h12-18,27,31-34,52H,8-11,19-22H2,1-7H3,(H,44,46)(H,45,47);7-8,11-12,15-16,25-26,31-34H,9-10,13-14,17-20H2,1-6H3,(H,43,45)(H,44,46);10-16,21,26,30-33,50H,7-9,17-20H2,1-6H3,(H,42,44)(H,43,45);11-16,21,29-30H,7-10,17-20,22H2,1-6H3,(H,44,46)(H,45,47);11-12,15-16,21-22,31-32H,7-10,13-14,17-20H2,1-6H3,(H,41,43)(H,42,44);11-16,19-20,28-29H,7-10,17-18,21H2,1-6H3,(H,38,39)(H,40,41)/t27-,31-,32+,33+,34-,43-;25-,26-,31-,32-,33+,34+;26-,30-,31+,32+,33-,41-;29-,30-;31-,32-;28-,29-/m111000/s1
InChIKeyNNKMRYRVWGPHNI-AAUZDAJMSA-N
XLogP51.10
TPSA757.56 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004217.19
LogP ≤ 551.10
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Analyze tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate (CID 159830632) is tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c(c3)OCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)cc2)c(CCC(F)(F)F)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)CCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)ccc1-2.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(c3)OCc3[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc3-4)cc2)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2c([nH]1)CCCc1cc(-c3ccc(-c4cnc([C@@H]5C[C@@]6(O)C[C@H]6N5C(=O)OC(C)(C)C)[nH]4)cc3)ccc1-2.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)CCc3[nH]c([C@@H]5C[C@H]6C[C@H]6N5C(=O)OC(C)(C)C)nc3-4)ccc1-2.CCc1[nH]c([C@@H]2C[C@@]3(O)C[C@H]3N2C(=O)OC(C)(C)C)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4C[C@H]5C[C@H]5N4C(=O)OC(C)(C)C)nc2-3)cc1.
What is the InChIKey of tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is NNKMRYRVWGPHNI-AAUZDAJMSA-N. The full InChI is InChI=1S/C43H52N6O5.C42H48N6O4.C41H48N6O5.C40H47F3N6O5.C40H48N6O4.C37H44N6O5/c1-8-29-35(46-38(44-29)33-21-43(52)22-34(43)49(33)40(51)54-42(5,6)7)24-14-12-23(13-15-24)25-16-17-28-26(18-25)10-9-11-30-36(28)47-37(45-30)32-20-27-19-31(27)48(32)39(50)53-41(2,3)4;1-41(2,3)51-39(49)47-31-17-25(31)19-33(47)37-43-29-13-9-23-15-21(7-11-27(23)35(29)45-37)22-8-12-28-24(16-22)10-14-30-36(28)46-38(44-30)34-20-26-18-32(26)48(34)40(50)52-42(4,5)6;1-39(2,3)51-37(48)46-30-17-26(30)18-31(46)36-43-28-9-7-8-25-16-24(14-15-27(25)34(28)45-36)22-10-12-23(13-11-22)29-21-42-35(44-29)32-19-41(50)20-33(41)47(32)38(49)52-40(4,5)6;1-38(2,3)53-36(50)48-19-7-9-29(48)34-44-27(17-18-40(41,42)43)32(46-34)24-13-11-23(12-14-24)25-15-16-26-31(21-25)52-22-28-33(26)47-35(45-28)30-10-8-20-49(30)37(51)54-39(4,5)6;1-39(2,3)49-37(47)45-19-7-9-31(45)35-41-29-17-13-25-21-23(11-15-27(25)33(29)43-35)24-12-16-28-26(22-24)14-18-30-34(28)44-36(42-30)32-10-8-20-46(32)38(48)50-40(4,5)6;1-36(2,3)47-34(44)42-17-7-9-28(42)32-38-20-26(39-32)23-13-11-22(12-14-23)24-15-16-25-30(19-24)46-21-27-31(25)41-33(40-27)29-10-8-18-43(29)35(45)48-37(4,5)6/h12-18,27,31-34,52H,8-11,19-22H2,1-7H3,(H,44,46)(H,45,47);7-8,11-12,15-16,25-26,31-34H,9-10,13-14,17-20H2,1-6H3,(H,43,45)(H,44,46);10-16,21,26,30-33,50H,7-9,17-20H2,1-6H3,(H,42,44)(H,43,45);11-16,21,29-30H,7-10,17-20,22H2,1-6H3,(H,44,46)(H,45,47);11-12,15-16,21-22,31-32H,7-10,13-14,17-20H2,1-6H3,(H,41,43)(H,42,44);11-16,19-20,28-29H,7-10,17-18,21H2,1-6H3,(H,38,39)(H,40,41)/t27-,31-,32+,33+,34-,43-;25-,26-,31-,32-,33+,34+;26-,30-,31+,32+,33-,41-;29-,30-;31-,32-;28-,29-/m111000/s1.
What are the key properties of tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 4217.19 g/mol, XLogP of 51.10, 25 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,3S,5S)-3-[5-ethyl-4-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-5-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5S)-5-hydroxy-3-[5-[4-[4-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[7-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (2S)-2-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 159830632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).