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

C235H241F8N37O10 — CID 159602606

IUPAC6-(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
SMILESC=C(O)c1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)o1.CC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1.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.Cc1nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2n1C.Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(C)CCC3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3cncnc3)cc21
InChIInChI=1S/C39H40FN7O.C39H41FN6O2.C38H38F3N5O2.C38H36FN5O3.C36H34FN7O.C25H28FN3O.C20H24N4/c1-45(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;1-22(23(2)47)18-24-6-10-29-32(19-24)46(4)36(43-29)37(14-5-15-37)44-35(48)26-7-9-28-31(20-26)45(3)34(30-11-8-27(39)21-42-30)33(28)25-12-16-38(40,41)17-13-25;1-22(45)32-15-16-33(47-32)24-10-13-28-31(19-24)44(3)37(41-28)38(17-6-18-38)42-36(46)25-9-12-27-30(20-25)43(2)35(29-14-11-26(39)21-40-29)34(27)23-7-4-5-8-23;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;1-25(12-5-13-25)28-24(30)17-8-10-19-21(14-17)29(2)23(20-11-9-18(26)15-27-20)22(19)16-6-3-4-7-16;1-16-21-19-9-8-18(14-20(19)22(16)2)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h10-17,20-24H,5-9,18-19H2,1-4H3,(H,44,48);10-17,20-22,24H,5-9,18-19,23H2,1-4H3,(H,43,47);6-11,18-21,25H,5,12-17H2,1-4H3,(H,44,48);9-16,19-21,23,45H,1,4-8,17-18H2,2-3H3,(H,42,46);8-13,16-22H,3-7,14-15H2,1-2H3,(H,42,45);8-11,14-16H,3-7,12-13H2,1-2H3,(H,28,30);3-9,14H,10-13,15H2,1-2H3/b;;22-18+;;;;
InChIKeyMLRFMAPCJXPEEP-LKTUEUMGSA-N
MW3895.75 g/mol
LogP48.90
Rot. Bonds42

About 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

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 (PubChem CID 159602606) has the molecular formula C235H241F8N37O10 and a molecular weight of 3895.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID159602606
Molecular FormulaC235H241F8N37O10
Molecular Weight3895.75 g/mol
Exact Mass3892.94
IUPAC Name6-(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
SMILESC=C(O)c1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)o1.CC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1.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.Cc1nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2n1C.Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(C)CCC3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3cncnc3)cc21
InChIInChI=1S/C39H40FN7O.C39H41FN6O2.C38H38F3N5O2.C38H36FN5O3.C36H34FN7O.C25H28FN3O.C20H24N4/c1-45(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;1-22(23(2)47)18-24-6-10-29-32(19-24)46(4)36(43-29)37(14-5-15-37)44-35(48)26-7-9-28-31(20-26)45(3)34(30-11-8-27(39)21-42-30)33(28)25-12-16-38(40,41)17-13-25;1-22(45)32-15-16-33(47-32)24-10-13-28-31(19-24)44(3)37(41-28)38(17-6-18-38)42-36(46)25-9-12-27-30(20-25)43(2)35(29-14-11-26(39)21-40-29)34(27)23-7-4-5-8-23;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;1-25(12-5-13-25)28-24(30)17-8-10-19-21(14-17)29(2)23(20-11-9-18(26)15-27-20)22(19)16-6-3-4-7-16;1-16-21-19-9-8-18(14-20(19)22(16)2)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h10-17,20-24H,5-9,18-19H2,1-4H3,(H,44,48);10-17,20-22,24H,5-9,18-19,23H2,1-4H3,(H,43,47);6-11,18-21,25H,5,12-17H2,1-4H3,(H,44,48);9-16,19-21,23,45H,1,4-8,17-18H2,2-3H3,(H,42,46);8-13,16-22H,3-7,14-15H2,1-2H3,(H,42,45);8-11,14-16H,3-7,12-13H2,1-2H3,(H,28,30);3-9,14H,10-13,15H2,1-2H3/b;;22-18+;;;;
InChIKeyMLRFMAPCJXPEEP-LKTUEUMGSA-N
XLogP48.90
TPSA503.65 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003895.75
LogP ≤ 548.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
CID 68215246
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
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
CID 159305047
CID 159305047
4-[3-[4-(1-Aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 160649930
(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-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;2-(2-chloro-4-pyridinyl)-3-cyclopentyl-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-(2-methoxy-4-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(6-methoxy-3-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyrimidin-2-ylindole-6-carboxamide
CID 160188628
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(O)c1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)o1.CC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1.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.Cc1nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2n1C.Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(C)CCC3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3cncnc3)cc21.
What is the InChIKey of 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?
The InChIKey is MLRFMAPCJXPEEP-LKTUEUMGSA-N. The full InChI is InChI=1S/C39H40FN7O.C39H41FN6O2.C38H38F3N5O2.C38H36FN5O3.C36H34FN7O.C25H28FN3O.C20H24N4/c1-45(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;1-22(23(2)47)18-24-6-10-29-32(19-24)46(4)36(43-29)37(14-5-15-37)44-35(48)26-7-9-28-31(20-26)45(3)34(30-11-8-27(39)21-42-30)33(28)25-12-16-38(40,41)17-13-25;1-22(45)32-15-16-33(47-32)24-10-13-28-31(19-24)44(3)37(41-28)38(17-6-18-38)42-36(46)25-9-12-27-30(20-25)43(2)35(29-14-11-26(39)21-40-29)34(27)23-7-4-5-8-23;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;1-25(12-5-13-25)28-24(30)17-8-10-19-21(14-17)29(2)23(20-11-9-18(26)15-27-20)22(19)16-6-3-4-7-16;1-16-21-19-9-8-18(14-20(19)22(16)2)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h10-17,20-24H,5-9,18-19H2,1-4H3,(H,44,48);10-17,20-22,24H,5-9,18-19,23H2,1-4H3,(H,43,47);6-11,18-21,25H,5,12-17H2,1-4H3,(H,44,48);9-16,19-21,23,45H,1,4-8,17-18H2,2-3H3,(H,42,46);8-13,16-22H,3-7,14-15H2,1-2H3,(H,42,45);8-11,14-16H,3-7,12-13H2,1-2H3,(H,28,30);3-9,14H,10-13,15H2,1-2H3/b;;22-18+;;;;.
What are the key properties of 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?
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 has a molecular weight of 3895.75 g/mol, XLogP of 48.90, 42 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159602606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).