(3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide

C254H318FN39O22S — CID 158871944

IUPAC(3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide
SMILESC=CC(=O)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)CC)C(=O)N32)c1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2cccnc2n1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](NC(=O)c2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.CC[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccccc3)nc3cc(C)ccn23)c(C#Cc2ccc(C)c3ncccc23)n1.Cc1ccc(Cc2cc3c(cn2)C(C)(C)CN3C(=O)CN2C[C@@H](C)NC[C@@H]2CN2Cc3ccccc3C2=O)cc1.Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2[C@H](C)COC[C@H]2C)CC3(C)C)cc1.Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2Cn2nc(C)cc2C)CC3(C)C)cc1
InChIInChI=1S/C36H31N5O.C36H48N4O5.C33H39N5O2.C31H41FN6O3.C31H45N5O2.C30H40N6O.C30H37N5O4S.C27H37N3O4/c1-5-24(3)36(42)39-31-18-16-29(30(38-31)17-15-26-14-13-25(4)33-28(26)12-9-20-37-33)35-34(27-10-7-6-8-11-27)40-32-22-23(2)19-21-41(32)35;1-4-23(2)33(41)39-32(25-13-6-5-7-14-25)36(44)40-22-27(37-34(42)26-16-10-17-28(20-26)45-3)21-31(40)35(43)38-30-19-11-15-24-12-8-9-18-29(24)30;1-22-9-11-24(12-10-22)13-26-14-30-29(16-35-26)33(3,4)21-38(30)31(39)20-36-17-23(2)34-15-27(36)19-37-18-25-7-5-6-8-28(25)32(37)40;1-6-21(2)27(39)35-26(31(3,4)5)29(41)38-17-7-9-24(38)19-36(18-14-22-10-12-23(32)13-11-22)28(40)25-20-37-16-8-15-33-30(37)34-25;1-21-7-9-25(10-8-21)11-26-12-28-30(33-13-26)31(5,6)20-36(28)29(37)17-34-15-22(2)32-14-27(34)16-35-23(3)18-38-19-24(35)4;1-20-7-9-24(10-8-20)12-25-13-27-29(32-14-25)30(5,6)19-35(27)28(37)18-34-16-22(3)31-15-26(34)17-36-23(4)11-21(2)33-36;1-3-19(2)25(36)32-24(21-13-8-5-9-14-21)30(38)35-17-10-15-22(35)26(37)34-28-23(20-11-6-4-7-12-20)33-29(40-28)27-31-16-18-39-27;1-4-18(3)25(32)29-23-12-7-6-11-21-13-14-24(30(21)27(23)34)26(33)28-17-20-10-8-9-19(15-20)16-22(31)5-2/h6-14,16,18-22,24H,5H2,1-4H3,(H,38,39,42);8-10,12,16-18,20,23,25,27,30-32H,4-7,11,13-15,19,21-22H2,1-3H3,(H,37,42)(H,38,43)(H,39,41);5-12,14,16,23,27,34H,13,15,17-21H2,1-4H3;8,10-13,15-16,20-21,24,26H,6-7,9,14,17-19H2,1-5H3,(H,35,39);7-10,12-13,22-24,27,32H,11,14-20H2,1-6H3;7-11,13-14,22,26,31H,12,15-19H2,1-6H3;4,6-7,11-12,16,18-19,21-22,24H,3,5,8-10,13-15,17H2,1-2H3,(H,32,36)(H,34,37);5,8-10,15,18,21,23-24H,2,4,6-7,11-14,16-17H2,1,3H3,(H,28,33)(H,29,32)/t24-;23-,27-,30-,31+,32+;23-,27-;21-,24+,26-;22-,23-,24-,27-;22-,26-;19-,22+,24+;18-,21+,23+,24+/m11111111/s1
InChIKeyJBYMFXJTWUEJAO-IWQOTMPASA-N
MW4320.65 g/mol
LogP36.08
Rot. Bonds61

About (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide

(3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide (PubChem CID 158871944) has the molecular formula C254H318FN39O22S and a molecular weight of 4320.65 g/mol. Its IUPAC name is (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name(3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide
PubChem CID158871944
Molecular FormulaC254H318FN39O22S
Molecular Weight4320.65 g/mol
Exact Mass4317.47
IUPAC Name(3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide
SMILESC=CC(=O)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)CC)C(=O)N32)c1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2cccnc2n1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](NC(=O)c2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.CC[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccccc3)nc3cc(C)ccn23)c(C#Cc2ccc(C)c3ncccc23)n1.Cc1ccc(Cc2cc3c(cn2)C(C)(C)CN3C(=O)CN2C[C@@H](C)NC[C@@H]2CN2Cc3ccccc3C2=O)cc1.Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2[C@H](C)COC[C@H]2C)CC3(C)C)cc1.Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2Cn2nc(C)cc2C)CC3(C)C)cc1
InChIInChI=1S/C36H31N5O.C36H48N4O5.C33H39N5O2.C31H41FN6O3.C31H45N5O2.C30H40N6O.C30H37N5O4S.C27H37N3O4/c1-5-24(3)36(42)39-31-18-16-29(30(38-31)17-15-26-14-13-25(4)33-28(26)12-9-20-37-33)35-34(27-10-7-6-8-11-27)40-32-22-23(2)19-21-41(32)35;1-4-23(2)33(41)39-32(25-13-6-5-7-14-25)36(44)40-22-27(37-34(42)26-16-10-17-28(20-26)45-3)21-31(40)35(43)38-30-19-11-15-24-12-8-9-18-29(24)30;1-22-9-11-24(12-10-22)13-26-14-30-29(16-35-26)33(3,4)21-38(30)31(39)20-36-17-23(2)34-15-27(36)19-37-18-25-7-5-6-8-28(25)32(37)40;1-6-21(2)27(39)35-26(31(3,4)5)29(41)38-17-7-9-24(38)19-36(18-14-22-10-12-23(32)13-11-22)28(40)25-20-37-16-8-15-33-30(37)34-25;1-21-7-9-25(10-8-21)11-26-12-28-30(33-13-26)31(5,6)20-36(28)29(37)17-34-15-22(2)32-14-27(34)16-35-23(3)18-38-19-24(35)4;1-20-7-9-24(10-8-20)12-25-13-27-29(32-14-25)30(5,6)19-35(27)28(37)18-34-16-22(3)31-15-26(34)17-36-23(4)11-21(2)33-36;1-3-19(2)25(36)32-24(21-13-8-5-9-14-21)30(38)35-17-10-15-22(35)26(37)34-28-23(20-11-6-4-7-12-20)33-29(40-28)27-31-16-18-39-27;1-4-18(3)25(32)29-23-12-7-6-11-21-13-14-24(30(21)27(23)34)26(33)28-17-20-10-8-9-19(15-20)16-22(31)5-2/h6-14,16,18-22,24H,5H2,1-4H3,(H,38,39,42);8-10,12,16-18,20,23,25,27,30-32H,4-7,11,13-15,19,21-22H2,1-3H3,(H,37,42)(H,38,43)(H,39,41);5-12,14,16,23,27,34H,13,15,17-21H2,1-4H3;8,10-13,15-16,20-21,24,26H,6-7,9,14,17-19H2,1-5H3,(H,35,39);7-10,12-13,22-24,27,32H,11,14-20H2,1-6H3;7-11,13-14,22,26,31H,12,15-19H2,1-6H3;4,6-7,11-12,16,18-19,21-22,24H,3,5,8-10,13-15,17H2,1-2H3,(H,32,36)(H,34,37);5,8-10,15,18,21,23-24H,2,4,6-7,11-14,16-17H2,1,3H3,(H,28,33)(H,29,32)/t24-;23-,27-,30-,31+,32+;23-,27-;21-,24+,26-;22-,23-,24-,27-;22-,26-;19-,22+,24+;18-,21+,23+,24+/m11111111/s1
InChIKeyJBYMFXJTWUEJAO-IWQOTMPASA-N
XLogP36.08
TPSA697.95 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds61
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004320.65
LogP ≤ 536.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide?
The IUPAC name of (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide (CID 158871944) is (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide.
What is the SMILES notation for (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide?
The canonical SMILES for (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide is C=CC(=O)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)CC)C(=O)N32)c1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2cccnc2n1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](NC(=O)c2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.CC[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccccc3)nc3cc(C)ccn23)c(C#Cc2ccc(C)c3ncccc23)n1.Cc1ccc(Cc2cc3c(cn2)C(C)(C)CN3C(=O)CN2C[C@@H](C)NC[C@@H]2CN2Cc3ccccc3C2=O)cc1.Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2[C@H](C)COC[C@H]2C)CC3(C)C)cc1.Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2Cn2nc(C)cc2C)CC3(C)C)cc1.
What is the InChIKey of (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide?
The InChIKey is JBYMFXJTWUEJAO-IWQOTMPASA-N. The full InChI is InChI=1S/C36H31N5O.C36H48N4O5.C33H39N5O2.C31H41FN6O3.C31H45N5O2.C30H40N6O.C30H37N5O4S.C27H37N3O4/c1-5-24(3)36(42)39-31-18-16-29(30(38-31)17-15-26-14-13-25(4)33-28(26)12-9-20-37-33)35-34(27-10-7-6-8-11-27)40-32-22-23(2)19-21-41(32)35;1-4-23(2)33(41)39-32(25-13-6-5-7-14-25)36(44)40-22-27(37-34(42)26-16-10-17-28(20-26)45-3)21-31(40)35(43)38-30-19-11-15-24-12-8-9-18-29(24)30;1-22-9-11-24(12-10-22)13-26-14-30-29(16-35-26)33(3,4)21-38(30)31(39)20-36-17-23(2)34-15-27(36)19-37-18-25-7-5-6-8-28(25)32(37)40;1-6-21(2)27(39)35-26(31(3,4)5)29(41)38-17-7-9-24(38)19-36(18-14-22-10-12-23(32)13-11-22)28(40)25-20-37-16-8-15-33-30(37)34-25;1-21-7-9-25(10-8-21)11-26-12-28-30(33-13-26)31(5,6)20-36(28)29(37)17-34-15-22(2)32-14-27(34)16-35-23(3)18-38-19-24(35)4;1-20-7-9-24(10-8-20)12-25-13-27-29(32-14-25)30(5,6)19-35(27)28(37)18-34-16-22(3)31-15-26(34)17-36-23(4)11-21(2)33-36;1-3-19(2)25(36)32-24(21-13-8-5-9-14-21)30(38)35-17-10-15-22(35)26(37)34-28-23(20-11-6-4-7-12-20)33-29(40-28)27-31-16-18-39-27;1-4-18(3)25(32)29-23-12-7-6-11-21-13-14-24(30(21)27(23)34)26(33)28-17-20-10-8-9-19(15-20)16-22(31)5-2/h6-14,16,18-22,24H,5H2,1-4H3,(H,38,39,42);8-10,12,16-18,20,23,25,27,30-32H,4-7,11,13-15,19,21-22H2,1-3H3,(H,37,42)(H,38,43)(H,39,41);5-12,14,16,23,27,34H,13,15,17-21H2,1-4H3;8,10-13,15-16,20-21,24,26H,6-7,9,14,17-19H2,1-5H3,(H,35,39);7-10,12-13,22-24,27,32H,11,14-20H2,1-6H3;7-11,13-14,22,26,31H,12,15-19H2,1-6H3;4,6-7,11-12,16,18-19,21-22,24H,3,5,8-10,13-15,17H2,1-2H3,(H,32,36)(H,34,37);5,8-10,15,18,21,23-24H,2,4,6-7,11-14,16-17H2,1,3H3,(H,28,33)(H,29,32)/t24-;23-,27-,30-,31+,32+;23-,27-;21-,24+,26-;22-,23-,24-,27-;22-,26-;19-,22+,24+;18-,21+,23+,24+/m11111111/s1.
What are the key properties of (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide?
(3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide has a molecular weight of 4320.65 g/mol, XLogP of 36.08, 61 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,10aS)-6-[[(2R)-2-methylbutanoyl]amino]-5-oxo-N-[[3-(2-oxobut-3-enyl)phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[(3-methoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]ethanone;1-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[[(2R,5R)-1-[2-[3,3-dimethyl-6-[(4-methylphenyl)methyl]-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;(2R)-2-methyl-N-[5-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-6-[2-(8-methylquinolin-5-yl)ethynyl]-2-pyridinyl]butanamide is sourced from PubChem (CID 158871944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).