2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone

C152H164ClF3N38O9 — CID 160996377

IUPAC2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone
SMILESCOc1cc(Nc2nccn2-c2cc(NC3CC3)ncn2)cc(C(=O)Cc2ccc(-n3cccc3C)c(C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Cc2ccc(-n3ccnc3)c(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1.Cc1cccc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)c1
InChIInChI=1S/C32H32F3N9O2.C31H36N8O.C31H31N7O2.C29H32ClN7O2.C29H33N7O2/c1-22-2-4-24(28(45)17-23-3-5-27(43-10-6-36-21-43)25(16-23)32(33,34)35)18-26(22)41-31-38-8-11-44(31)30-19-29(39-20-40-30)37-7-9-42-12-14-46-15-13-42;1-22-3-8-25(28(40)17-23-4-6-24(7-5-23)20-38-15-13-37(2)14-16-38)18-27(22)36-31-32-11-12-39(31)30-19-29(33-21-34-30)35-26-9-10-26;1-20-13-22(6-9-27(20)37-11-4-5-21(37)2)14-28(39)23-15-25(17-26(16-23)40-3)36-31-32-10-12-38(31)30-18-29(33-19-34-30)35-24-7-8-24;1-20-3-5-23(26(38)16-22-4-6-24(30)21(2)15-22)17-25(20)35-29-32-8-10-37(29)28-18-27(33-19-34-28)31-7-9-36-11-13-39-14-12-36;1-21-4-3-5-23(16-21)17-26(37)24-7-6-22(2)25(18-24)34-29-31-9-11-36(29)28-19-27(32-20-33-28)30-8-10-35-12-14-38-15-13-35/h2-6,8,10-11,16,18-21H,7,9,12-15,17H2,1H3,(H,38,41)(H,37,39,40);3-8,11-12,18-19,21,26H,9-10,13-17,20H2,1-2H3,(H,32,36)(H,33,34,35);4-6,9-13,15-19,24H,7-8,14H2,1-3H3,(H,32,36)(H,33,34,35);3-6,8,10,15,17-19H,7,9,11-14,16H2,1-2H3,(H,32,35)(H,31,33,34);3-7,9,11,16,18-20H,8,10,12-15,17H2,1-2H3,(H,31,34)(H,30,32,33)
InChIKeyTVHLIZSXGOGHMK-UHFFFAOYSA-N
MW2759.69 g/mol
LogP24.41
Rot. Bonds51

About 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone

2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone (PubChem CID 160996377) has the molecular formula C152H164ClF3N38O9 and a molecular weight of 2759.69 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone
PubChem CID160996377
Molecular FormulaC152H164ClF3N38O9
Molecular Weight2759.69 g/mol
Exact Mass2757.32
IUPAC Name2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone
SMILESCOc1cc(Nc2nccn2-c2cc(NC3CC3)ncn2)cc(C(=O)Cc2ccc(-n3cccc3C)c(C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Cc2ccc(-n3ccnc3)c(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1.Cc1cccc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)c1
InChIInChI=1S/C32H32F3N9O2.C31H36N8O.C31H31N7O2.C29H32ClN7O2.C29H33N7O2/c1-22-2-4-24(28(45)17-23-3-5-27(43-10-6-36-21-43)25(16-23)32(33,34)35)18-26(22)41-31-38-8-11-44(31)30-19-29(39-20-40-30)37-7-9-42-12-14-46-15-13-42;1-22-3-8-25(28(40)17-23-4-6-24(7-5-23)20-38-15-13-37(2)14-16-38)18-27(22)36-31-32-11-12-39(31)30-19-29(33-21-34-30)35-26-9-10-26;1-20-13-22(6-9-27(20)37-11-4-5-21(37)2)14-28(39)23-15-25(17-26(16-23)40-3)36-31-32-10-12-38(31)30-18-29(33-19-34-30)35-24-7-8-24;1-20-3-5-23(26(38)16-22-4-6-24(30)21(2)15-22)17-25(20)35-29-32-8-10-37(29)28-18-27(33-19-34-28)31-7-9-36-11-13-39-14-12-36;1-21-4-3-5-23(16-21)17-26(37)24-7-6-22(2)25(18-24)34-29-31-9-11-36(29)28-19-27(32-20-33-28)30-8-10-35-12-14-38-15-13-35/h2-6,8,10-11,16,18-21H,7,9,12-15,17H2,1H3,(H,38,41)(H,37,39,40);3-8,11-12,18-19,21,26H,9-10,13-17,20H2,1-2H3,(H,32,36)(H,33,34,35);4-6,9-13,15-19,24H,7-8,14H2,1-3H3,(H,32,36)(H,33,34,35);3-6,8,10,15,17-19H,7,9,11-14,16H2,1-2H3,(H,32,35)(H,31,33,34);3-7,9,11,16,18-20H,8,10,12-15,17H2,1-2H3,(H,31,34)(H,30,32,33)
InChIKeyTVHLIZSXGOGHMK-UHFFFAOYSA-N
XLogP24.41
TPSA499.52 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds51
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002759.69
LogP ≤ 524.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Analyze 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone with MolForge

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Related Compounds

1-[3-[[1-[6-(Cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;2-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
CID 157186910
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine
CID 157314629
1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 157534516
CID 157666522
CID 157666522
2-(4-Chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;methane;2-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone
CID 157781804
3-[[1-[6-(2-cyclopentylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(1,1-difluoroethyl)phenyl]-5-methoxybenzamide;3-[[1-[6-(2-cyclopentylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methyl-N-(3-methylphenyl)benzamide;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone
CID 157852399
1-[3-[[1-[6-(Cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157947440
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;bis(2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone);N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;bis(6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine);3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 157992411
N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 158080272
2-(4-Chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;2-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone
CID 158143124
1-[3-[[1-[6-(Cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;2-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
CID 158194627
1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;3-methoxy-N-methyl-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 158271550

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone (CID 160996377) is 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone is COc1cc(Nc2nccn2-c2cc(NC3CC3)ncn2)cc(C(=O)Cc2ccc(-n3cccc3C)c(C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Cc2ccc(-n3ccnc3)c(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1.Cc1cccc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone?
The InChIKey is TVHLIZSXGOGHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N9O2.C31H36N8O.C31H31N7O2.C29H32ClN7O2.C29H33N7O2/c1-22-2-4-24(28(45)17-23-3-5-27(43-10-6-36-21-43)25(16-23)32(33,34)35)18-26(22)41-31-38-8-11-44(31)30-19-29(39-20-40-30)37-7-9-42-12-14-46-15-13-42;1-22-3-8-25(28(40)17-23-4-6-24(7-5-23)20-38-15-13-37(2)14-16-38)18-27(22)36-31-32-11-12-39(31)30-19-29(33-21-34-30)35-26-9-10-26;1-20-13-22(6-9-27(20)37-11-4-5-21(37)2)14-28(39)23-15-25(17-26(16-23)40-3)36-31-32-10-12-38(31)30-18-29(33-19-34-30)35-24-7-8-24;1-20-3-5-23(26(38)16-22-4-6-24(30)21(2)15-22)17-25(20)35-29-32-8-10-37(29)28-18-27(33-19-34-28)31-7-9-36-11-13-39-14-12-36;1-21-4-3-5-23(16-21)17-26(37)24-7-6-22(2)25(18-24)34-29-31-9-11-36(29)28-19-27(32-20-33-28)30-8-10-35-12-14-38-15-13-35/h2-6,8,10-11,16,18-21H,7,9,12-15,17H2,1H3,(H,38,41)(H,37,39,40);3-8,11-12,18-19,21,26H,9-10,13-17,20H2,1-2H3,(H,32,36)(H,33,34,35);4-6,9-13,15-19,24H,7-8,14H2,1-3H3,(H,32,36)(H,33,34,35);3-6,8,10,15,17-19H,7,9,11-14,16H2,1-2H3,(H,32,35)(H,31,33,34);3-7,9,11,16,18-20H,8,10,12-15,17H2,1-2H3,(H,31,34)(H,30,32,33).
What are the key properties of 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone?
2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone has a molecular weight of 2759.69 g/mol, XLogP of 24.41, 51 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 160996377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).