5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C162H140ClF19N24O11 — CID 159715242

IUPAC5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cnc(C(F)(F)F)c1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2c3ccccc3C3CCCCC32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cnc3cc(C)c(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cnc3cc(F)c(Cl)cc32)ccc1F
InChIInChI=1S/C36H32F3N5O3.C35H33F3N4O2.C32H28F3N5O2.C30H22ClF4N5O2.C29H25F6N5O2/c1-40-35(46)28-19-23(13-14-29(28)39)27-10-7-15-41-34(27)30(18-22-16-24(37)20-25(38)17-22)42-33(45)21-43-31-11-5-6-12-32(31)44(36(43)47)26-8-3-2-4-9-26;1-39-35(44)28-18-22(12-13-29(28)38)25-9-6-14-40-34(25)30(17-21-15-23(36)19-24(37)16-21)41-33(43)20-42-31-10-4-2-7-26(31)27-8-3-5-11-32(27)42;1-18-9-27-29(10-19(18)2)40(17-38-27)16-30(41)39-28(13-20-11-22(33)15-23(34)12-20)31-24(5-4-8-37-31)21-6-7-26(35)25(14-21)32(42)36-3;1-36-30(42)21-10-17(4-5-23(21)34)20-3-2-6-37-29(20)26(9-16-7-18(32)11-19(33)8-16)39-28(41)14-40-15-38-25-13-24(35)22(31)12-27(25)40;1-3-24(40-14-25(38-15-40)29(33,34)35)28(42)39-23(11-16-9-18(30)13-19(31)10-16)26-20(5-4-8-37-26)17-6-7-22(32)21(12-17)27(41)36-2/h5-8,10-17,19-20,30H,2-4,9,18,21H2,1H3,(H,40,46)(H,42,45);2,4,6-7,9-10,12-16,18-19,27,30,32H,3,5,8,11,17,20H2,1H3,(H,39,44)(H,41,43);4-12,14-15,17,28H,13,16H2,1-3H3,(H,36,42)(H,39,41);2-8,10-13,15,26H,9,14H2,1H3,(H,36,42)(H,39,41);4-10,12-15,23-24H,3,11H2,1-2H3,(H,36,41)(H,39,42)/t30-;27?,30-,32?;28-;26-;23-,24?/m00000/s1
InChIKeyMZIRKVKHERQMEI-DUSBIXMCSA-N
MW2995.47 g/mol
LogP29.78
Rot. Bonds42

About 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 159715242) has the molecular formula C162H140ClF19N24O11 and a molecular weight of 2995.47 g/mol. Its IUPAC name is 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID159715242
Molecular FormulaC162H140ClF19N24O11
Molecular Weight2995.47 g/mol
Exact Mass2993.05
IUPAC Name5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cnc(C(F)(F)F)c1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2c3ccccc3C3CCCCC32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cnc3cc(C)c(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cnc3cc(F)c(Cl)cc32)ccc1F
InChIInChI=1S/C36H32F3N5O3.C35H33F3N4O2.C32H28F3N5O2.C30H22ClF4N5O2.C29H25F6N5O2/c1-40-35(46)28-19-23(13-14-29(28)39)27-10-7-15-41-34(27)30(18-22-16-24(37)20-25(38)17-22)42-33(45)21-43-31-11-5-6-12-32(31)44(36(43)47)26-8-3-2-4-9-26;1-39-35(44)28-18-22(12-13-29(28)38)25-9-6-14-40-34(25)30(17-21-15-23(36)19-24(37)16-21)41-33(43)20-42-31-10-4-2-7-26(31)27-8-3-5-11-32(27)42;1-18-9-27-29(10-19(18)2)40(17-38-27)16-30(41)39-28(13-20-11-22(33)15-23(34)12-20)31-24(5-4-8-37-31)21-6-7-26(35)25(14-21)32(42)36-3;1-36-30(42)21-10-17(4-5-23(21)34)20-3-2-6-37-29(20)26(9-16-7-18(32)11-19(33)8-16)39-28(41)14-40-15-38-25-13-24(35)22(31)12-27(25)40;1-3-24(40-14-25(38-15-40)29(33,34)35)28(42)39-23(11-16-9-18(30)13-19(31)10-16)26-20(5-4-8-37-26)17-6-7-22(32)21(12-17)27(41)36-2/h5-8,10-17,19-20,30H,2-4,9,18,21H2,1H3,(H,40,46)(H,42,45);2,4,6-7,9-10,12-16,18-19,27,30,32H,3,5,8,11,17,20H2,1H3,(H,39,44)(H,41,43);4-12,14-15,17,28H,13,16H2,1-3H3,(H,36,42)(H,39,41);2-8,10-13,15,26H,9,14H2,1H3,(H,36,42)(H,39,41);4-10,12-15,23-24H,3,11H2,1-2H3,(H,36,41)(H,39,42)/t30-;27?,30-,32?;28-;26-;23-,24?/m00000/s1
InChIKeyMZIRKVKHERQMEI-DUSBIXMCSA-N
XLogP29.78
TPSA439.08 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds42
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002995.47
LogP ≤ 529.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 159715242) is 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cnc(C(F)(F)F)c1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2c3ccccc3C3CCCCC32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cnc3cc(C)c(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cnc3cc(F)c(Cl)cc32)ccc1F.
What is the InChIKey of 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is MZIRKVKHERQMEI-DUSBIXMCSA-N. The full InChI is InChI=1S/C36H32F3N5O3.C35H33F3N4O2.C32H28F3N5O2.C30H22ClF4N5O2.C29H25F6N5O2/c1-40-35(46)28-19-23(13-14-29(28)39)27-10-7-15-41-34(27)30(18-22-16-24(37)20-25(38)17-22)42-33(45)21-43-31-11-5-6-12-32(31)44(36(43)47)26-8-3-2-4-9-26;1-39-35(44)28-18-22(12-13-29(28)38)25-9-6-14-40-34(25)30(17-21-15-23(36)19-24(37)16-21)41-33(43)20-42-31-10-4-2-7-26(31)27-8-3-5-11-32(27)42;1-18-9-27-29(10-19(18)2)40(17-38-27)16-30(41)39-28(13-20-11-22(33)15-23(34)12-20)31-24(5-4-8-37-31)21-6-7-26(35)25(14-21)32(42)36-3;1-36-30(42)21-10-17(4-5-23(21)34)20-3-2-6-37-29(20)26(9-16-7-18(32)11-19(33)8-16)39-28(41)14-40-15-38-25-13-24(35)22(31)12-27(25)40;1-3-24(40-14-25(38-15-40)29(33,34)35)28(42)39-23(11-16-9-18(30)13-19(31)10-16)26-20(5-4-8-37-26)17-6-7-22(32)21(12-17)27(41)36-2/h5-8,10-17,19-20,30H,2-4,9,18,21H2,1H3,(H,40,46)(H,42,45);2,4,6-7,9-10,12-16,18-19,27,30,32H,3,5,8,11,17,20H2,1H3,(H,39,44)(H,41,43);4-12,14-15,17,28H,13,16H2,1-3H3,(H,36,42)(H,39,41);2-8,10-13,15,26H,9,14H2,1H3,(H,36,42)(H,39,41);4-10,12-15,23-24H,3,11H2,1-2H3,(H,36,41)(H,39,42)/t30-;27?,30-,32?;28-;26-;23-,24?/m00000/s1.
What are the key properties of 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2995.47 g/mol, XLogP of 29.78, 42 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-[[2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(6-chloro-5-fluorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 159715242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).