3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one

C143H189F3N26O19 — CID 159195480

IUPAC3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
SMILESC=C(C1CC1)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)cc43)CC2)CC1.C=C(C1CC1)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccccc43)CC2)CC1.CC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(C)nc43)CC2)CC1.COc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(=O)c4nccn4C)CC3)CC1)c(=O)n2C.COc1cccc(NC(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)nc43)CC2)c1.Cn1c(=O)n(CC2CCC(C(=O)N3CCOCC3)CC2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H34N6O4.C26H36N4O3.C25H34N4O2.C23H28N4O4.C22H31N5O3.C21H26F3N3O3/c1-28-11-10-27-23(28)25(34)31-14-12-30(13-15-31)24(33)19-6-4-18(5-7-19)17-32-22-16-20(36-3)8-9-21(22)29(2)26(32)35;1-18(20-8-9-20)28-12-14-29(15-13-28)25(31)21-6-4-19(5-7-21)17-30-24-16-22(33-3)10-11-23(24)27(2)26(30)32;1-18(20-11-12-20)27-13-15-28(16-14-27)24(30)21-9-7-19(8-10-21)17-29-23-6-4-3-5-22(23)26(2)25(29)31;1-26-19-11-12-20(31-3)25-21(19)27(23(26)29)14-15-7-9-16(10-8-15)22(28)24-17-5-4-6-18(13-17)30-2;1-15-4-9-19-20(23-15)27(22(30)24(19)3)14-17-5-7-18(8-6-17)21(29)26-12-10-25(11-13-26)16(2)28;1-25-17-7-6-16(21(22,23)24)12-18(17)27(20(25)29)13-14-2-4-15(5-3-14)19(28)26-8-10-30-11-9-26/h8-11,16,18-19H,4-7,12-15,17H2,1-3H3;10-11,16,19-21H,1,4-9,12-15,17H2,2-3H3;3-6,19-21H,1,7-17H2,2H3;4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,24,28);4,9,17-18H,5-8,10-14H2,1-3H3;6-7,12,14-15H,2-5,8-11,13H2,1H3
InChIKeyKOPLDVWAMGNNOJ-UHFFFAOYSA-N
MW2633.24 g/mol
LogP16.07
Rot. Bonds28

About 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one

3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one (PubChem CID 159195480) has the molecular formula C143H189F3N26O19 and a molecular weight of 2633.24 g/mol. Its IUPAC name is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one.

Molecular Properties

Compound Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
PubChem CID159195480
Molecular FormulaC143H189F3N26O19
Molecular Weight2633.24 g/mol
Exact Mass2631.46
IUPAC Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
SMILESC=C(C1CC1)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)cc43)CC2)CC1.C=C(C1CC1)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccccc43)CC2)CC1.CC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(C)nc43)CC2)CC1.COc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(=O)c4nccn4C)CC3)CC1)c(=O)n2C.COc1cccc(NC(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)nc43)CC2)c1.Cn1c(=O)n(CC2CCC(C(=O)N3CCOCC3)CC2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H34N6O4.C26H36N4O3.C25H34N4O2.C23H28N4O4.C22H31N5O3.C21H26F3N3O3/c1-28-11-10-27-23(28)25(34)31-14-12-30(13-15-31)24(33)19-6-4-18(5-7-19)17-32-22-16-20(36-3)8-9-21(22)29(2)26(32)35;1-18(20-8-9-20)28-12-14-29(15-13-28)25(31)21-6-4-19(5-7-21)17-30-24-16-22(33-3)10-11-23(24)27(2)26(30)32;1-18(20-11-12-20)27-13-15-28(16-14-27)24(30)21-9-7-19(8-10-21)17-29-23-6-4-3-5-22(23)26(2)25(29)31;1-26-19-11-12-20(31-3)25-21(19)27(23(26)29)14-15-7-9-16(10-8-15)22(28)24-17-5-4-6-18(13-17)30-2;1-15-4-9-19-20(23-15)27(22(30)24(19)3)14-17-5-7-18(8-6-17)21(29)26-12-10-25(11-13-26)16(2)28;1-25-17-7-6-16(21(22,23)24)12-18(17)27(20(25)29)13-14-2-4-15(5-3-14)19(28)26-8-10-30-11-9-26/h8-11,16,18-19H,4-7,12-15,17H2,1-3H3;10-11,16,19-21H,1,4-9,12-15,17H2,2-3H3;3-6,19-21H,1,7-17H2,2H3;4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,24,28);4,9,17-18H,5-8,10-14H2,1-3H3;6-7,12,14-15H,2-5,8-11,13H2,1H3
InChIKeyKOPLDVWAMGNNOJ-UHFFFAOYSA-N
XLogP16.07
TPSA429.08 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002633.24
LogP ≤ 516.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one with MolForge

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Related Compounds

3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;5-methoxy-1-methyl-3-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]imidazo[4,5-b]pyridin-2-one;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
CID 157107377
3-cyclopropyl-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;3-ethyl-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]ethanone;2,2,2-trifluoro-1-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]ethanone
CID 158945459
2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158977297
[(3aR,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3S,4R)-3-amino-4-methoxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methyl-7-(2,2,2-trifluoroethoxy)benzimidazol-5-yl]methanone
CID 159105401
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-1-ethyl-7-methoxybenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxypyrrolo[2,3-b]pyridin-2-yl]-1-ethyl-7-methoxybenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5S)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 159109203
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(1,1-difluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone;[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[6-methoxy-1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 159386455
1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
CID 159508021
bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 159698464
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[2,5-dimethyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 159978681
(1S,5R)-N-[[5-(1,1-difluoroethyl)-1-methylbenzimidazol-2-yl]methyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;[3-[4-(1,1-difluoroethyl)phenoxy]pyrrolidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[3-[3-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[4-[3-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[(3S)-3-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 160124193
4-[6-amino-9-[3-[[(E)-4-(dimethylamino)but-2-enyl]-methylamino]phenyl]-8-oxopurin-7-yl]-N-[3-(trifluoromethyl)phenyl]benzamide;6-amino-9-[3-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-(4-phenoxyphenyl)purin-8-one;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methyl-4-morpholin-4-ylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
CID 160592949
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
CID 160728328

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one?
The IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one (CID 159195480) is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one.
What is the SMILES notation for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one?
The canonical SMILES for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one is C=C(C1CC1)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)cc43)CC2)CC1.C=C(C1CC1)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccccc43)CC2)CC1.CC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(C)nc43)CC2)CC1.COc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(=O)c4nccn4C)CC3)CC1)c(=O)n2C.COc1cccc(NC(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)nc43)CC2)c1.Cn1c(=O)n(CC2CCC(C(=O)N3CCOCC3)CC2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one?
The InChIKey is KOPLDVWAMGNNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4.C26H36N4O3.C25H34N4O2.C23H28N4O4.C22H31N5O3.C21H26F3N3O3/c1-28-11-10-27-23(28)25(34)31-14-12-30(13-15-31)24(33)19-6-4-18(5-7-19)17-32-22-16-20(36-3)8-9-21(22)29(2)26(32)35;1-18(20-8-9-20)28-12-14-29(15-13-28)25(31)21-6-4-19(5-7-21)17-30-24-16-22(33-3)10-11-23(24)27(2)26(30)32;1-18(20-11-12-20)27-13-15-28(16-14-27)24(30)21-9-7-19(8-10-21)17-29-23-6-4-3-5-22(23)26(2)25(29)31;1-26-19-11-12-20(31-3)25-21(19)27(23(26)29)14-15-7-9-16(10-8-15)22(28)24-17-5-4-6-18(13-17)30-2;1-15-4-9-19-20(23-15)27(22(30)24(19)3)14-17-5-7-18(8-6-17)21(29)26-12-10-25(11-13-26)16(2)28;1-25-17-7-6-16(21(22,23)24)12-18(17)27(20(25)29)13-14-2-4-15(5-3-14)19(28)26-8-10-30-11-9-26/h8-11,16,18-19H,4-7,12-15,17H2,1-3H3;10-11,16,19-21H,1,4-9,12-15,17H2,2-3H3;3-6,19-21H,1,7-17H2,2H3;4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,24,28);4,9,17-18H,5-8,10-14H2,1-3H3;6-7,12,14-15H,2-5,8-11,13H2,1H3.
What are the key properties of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one?
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one has a molecular weight of 2633.24 g/mol, XLogP of 16.07, 28 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one is sourced from PubChem (CID 159195480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).