N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid

C231H231F8N37O12 — CID 158244564

IUPACN-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.CN(C)Cc1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)o1.CN(C)c1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3ccc(C(=O)O)o3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3cncnc3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(N3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C43H46FN7O.C39H40FN7O.C39H41FN6O2.C37H36F3N5O3.C37H34FN5O4.C36H34FN7O/c1-48-37-25-31(13-16-34(37)39(30-11-6-7-12-30)40(48)36-17-14-32(44)27-45-36)41(52)47-43(19-8-20-43)42-46-35-18-15-33(26-38(35)49(42)2)51-23-21-50(22-24-51)28-29-9-4-3-5-10-29;1-45(2)34-17-12-27(22-42-34)25-11-15-30-33(20-25)47(4)38(43-30)39(18-7-19-39)44-37(48)26-10-14-29-32(21-26)46(3)36(31-16-13-28(40)23-41-31)35(29)24-8-5-6-9-24;1-44(2)23-28-13-17-34(48-28)25-11-15-30-33(20-25)46(4)38(42-30)39(18-7-19-39)43-37(47)26-10-14-29-32(21-26)45(3)36(31-16-12-27(40)22-41-31)35(29)24-8-5-6-9-24;1-21(34(47)48)17-22-5-9-27-30(18-22)45(3)35(42-27)36(13-4-14-36)43-33(46)24-6-8-26-29(19-24)44(2)32(28-10-7-25(38)20-41-28)31(26)23-11-15-37(39,40)16-12-23;1-42-28-19-23(8-11-25(28)32(21-6-3-4-7-21)33(42)27-13-10-24(38)20-39-27)34(44)41-37(16-5-17-37)36-40-26-12-9-22(18-29(26)43(36)2)30-14-15-31(47-30)35(45)46;1-43-30-17-24(8-11-27(30)32(22-6-3-4-7-22)33(43)29-13-10-26(37)20-40-29)34(45)42-36(14-5-15-36)35-41-28-12-9-23(16-31(28)44(35)2)25-18-38-21-39-19-25/h3-5,9-10,13-18,25-27,30H,6-8,11-12,19-24,28H2,1-2H3,(H,47,52);10-17,20-24H,5-9,18-19H2,1-4H3,(H,44,48);10-17,20-22,24H,5-9,18-19,23H2,1-4H3,(H,43,47);5-10,17-20,23H,4,11-16H2,1-3H3,(H,43,46)(H,47,48);8-15,18-21H,3-7,16-17H2,1-2H3,(H,41,44)(H,45,46);8-13,16-22H,3-7,14-15H2,1-2H3,(H,42,45)/b;;;21-17+;;
InChIKeyGFYQPHRJQBXPAQ-XYSJNLRXSA-N
MW3869.62 g/mol
LogP46.71
Rot. Bonds43

About N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid

N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid (PubChem CID 158244564) has the molecular formula C231H231F8N37O12 and a molecular weight of 3869.62 g/mol. Its IUPAC name is N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid
PubChem CID158244564
Molecular FormulaC231H231F8N37O12
Molecular Weight3869.62 g/mol
Exact Mass3866.85
IUPAC NameN-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.CN(C)Cc1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)o1.CN(C)c1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3ccc(C(=O)O)o3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3cncnc3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(N3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C43H46FN7O.C39H40FN7O.C39H41FN6O2.C37H36F3N5O3.C37H34FN5O4.C36H34FN7O/c1-48-37-25-31(13-16-34(37)39(30-11-6-7-12-30)40(48)36-17-14-32(44)27-45-36)41(52)47-43(19-8-20-43)42-46-35-18-15-33(26-38(35)49(42)2)51-23-21-50(22-24-51)28-29-9-4-3-5-10-29;1-45(2)34-17-12-27(22-42-34)25-11-15-30-33(20-25)47(4)38(43-30)39(18-7-19-39)44-37(48)26-10-14-29-32(21-26)46(3)36(31-16-13-28(40)23-41-31)35(29)24-8-5-6-9-24;1-44(2)23-28-13-17-34(48-28)25-11-15-30-33(20-25)46(4)38(42-30)39(18-7-19-39)43-37(47)26-10-14-29-32(21-26)45(3)36(31-16-12-27(40)22-41-31)35(29)24-8-5-6-9-24;1-21(34(47)48)17-22-5-9-27-30(18-22)45(3)35(42-27)36(13-4-14-36)43-33(46)24-6-8-26-29(19-24)44(2)32(28-10-7-25(38)20-41-28)31(26)23-11-15-37(39,40)16-12-23;1-42-28-19-23(8-11-25(28)32(21-6-3-4-7-21)33(42)27-13-10-24(38)20-39-27)34(44)41-37(16-5-17-37)36-40-26-12-9-22(18-29(26)43(36)2)30-14-15-31(47-30)35(45)46;1-43-30-17-24(8-11-27(30)32(22-6-3-4-7-22)33(43)29-13-10-26(37)20-40-29)34(45)42-36(14-5-15-36)35-41-28-12-9-23(16-31(28)44(35)2)25-18-38-21-39-19-25/h3-5,9-10,13-18,25-27,30H,6-8,11-12,19-24,28H2,1-2H3,(H,47,52);10-17,20-24H,5-9,18-19H2,1-4H3,(H,44,48);10-17,20-22,24H,5-9,18-19,23H2,1-4H3,(H,43,47);5-10,17-20,23H,4,11-16H2,1-3H3,(H,43,46)(H,47,48);8-15,18-21H,3-7,16-17H2,1-2H3,(H,41,44)(H,45,46);8-13,16-22H,3-7,14-15H2,1-2H3,(H,42,45)/b;;;21-17+;;
InChIKeyGFYQPHRJQBXPAQ-XYSJNLRXSA-N
XLogP46.71
TPSA540.95 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds43
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003869.62
LogP ≤ 546.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Analyze N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid with MolForge

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Related Compounds

5-[2-[1-[[3-Cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid
CID 58111238
2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[1-(cyclopropylmethyl)-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[1-ethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]-1-methyl-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[1-(2-fluoroethyl)-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-2-(6-methoxypyridazin-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[(3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carbonyl)amino]cyclopropyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid
CID 158025161
CID 159305047
CID 159305047
6-(4-benzylpiperazin-1-yl)-1,2-dimethylbenzimidazole;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-N-[1-[6-[5-(1-hydroxyethenyl)furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-(1-methylcyclobutyl)indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-2-methyl-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
CID 159602606
(E)-3-[2-[1-[[2-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;(E)-3-[2-[1-[[2-(2-chloro-4-pyridinyl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;(E)-3-[2-[1-[[3-cyclopentyl-2-(2-methoxy-4-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;(E)-3-[2-[1-[[3-cyclopentyl-2-(6-methoxy-3-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;(E)-3-[2-[1-[(3-cyclopentyl-1-methyl-2-pyrimidin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid
CID 157317269
(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclopent-3-en-1-yl]-1-methylbenzimidazol-5-yl]prop-2-enoic acid;(E)-3-[2-[1-[[3-cyclopentyl-2-(2,6-dimethyl-3-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-1-methylbenzimidazole-5-carboxylic acid;3-cyclopentyl-N-[1-(6-imidazol-1-yl-1-methylbenzimidazol-2-yl)cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;(E)-3-[2-[1-[[3-cyclopentyl-2-(5-methoxy-3-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid
CID 158506156
2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclohexyl-N-[1-[6-[(E)-2-ethyl-3-oxobut-1-enyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[(3S)-1-methyl-3-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]pyrrolidin-3-yl]indole-6-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
CID 160353447
CID 160986338
CID 160986338
N-[1-(5-acetyl-1-methylbenzimidazol-2-yl)cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;N-[1-(6-acetyl-1-methylbenzimidazol-2-yl)cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(2,6-dimethyl-3-pyridinyl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-methoxy-3-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-(1-methyl-6-pyrrol-1-ylbenzimidazol-2-yl)cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
CID 161911275

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid?
The IUPAC name of N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid (CID 158244564) is N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid.
What is the SMILES notation for N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid?
The canonical SMILES for N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid is C/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.CN(C)Cc1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)o1.CN(C)c1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3ccc(C(=O)O)o3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3cncnc3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(N3CCN(Cc4ccccc4)CC3)cc21.
What is the InChIKey of N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid?
The InChIKey is GFYQPHRJQBXPAQ-XYSJNLRXSA-N. The full InChI is InChI=1S/C43H46FN7O.C39H40FN7O.C39H41FN6O2.C37H36F3N5O3.C37H34FN5O4.C36H34FN7O/c1-48-37-25-31(13-16-34(37)39(30-11-6-7-12-30)40(48)36-17-14-32(44)27-45-36)41(52)47-43(19-8-20-43)42-46-35-18-15-33(26-38(35)49(42)2)51-23-21-50(22-24-51)28-29-9-4-3-5-10-29;1-45(2)34-17-12-27(22-42-34)25-11-15-30-33(20-25)47(4)38(43-30)39(18-7-19-39)44-37(48)26-10-14-29-32(21-26)46(3)36(31-16-13-28(40)23-41-31)35(29)24-8-5-6-9-24;1-44(2)23-28-13-17-34(48-28)25-11-15-30-33(20-25)46(4)38(42-30)39(18-7-19-39)43-37(47)26-10-14-29-32(21-26)45(3)36(31-16-12-27(40)22-41-31)35(29)24-8-5-6-9-24;1-21(34(47)48)17-22-5-9-27-30(18-22)45(3)35(42-27)36(13-4-14-36)43-33(46)24-6-8-26-29(19-24)44(2)32(28-10-7-25(38)20-41-28)31(26)23-11-15-37(39,40)16-12-23;1-42-28-19-23(8-11-25(28)32(21-6-3-4-7-21)33(42)27-13-10-24(38)20-39-27)34(44)41-37(16-5-17-37)36-40-26-12-9-22(18-29(26)43(36)2)30-14-15-31(47-30)35(45)46;1-43-30-17-24(8-11-27(30)32(22-6-3-4-7-22)33(43)29-13-10-26(37)20-40-29)34(45)42-36(14-5-15-36)35-41-28-12-9-23(16-31(28)44(35)2)25-18-38-21-39-19-25/h3-5,9-10,13-18,25-27,30H,6-8,11-12,19-24,28H2,1-2H3,(H,47,52);10-17,20-24H,5-9,18-19H2,1-4H3,(H,44,48);10-17,20-22,24H,5-9,18-19,23H2,1-4H3,(H,43,47);5-10,17-20,23H,4,11-16H2,1-3H3,(H,43,46)(H,47,48);8-15,18-21H,3-7,16-17H2,1-2H3,(H,41,44)(H,45,46);8-13,16-22H,3-7,14-15H2,1-2H3,(H,42,45)/b;;;21-17+;;.
What are the key properties of N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid?
N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid has a molecular weight of 3869.62 g/mol, XLogP of 46.71, 43 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4-benzylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;5-[2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]furan-2-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 158244564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).