3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide

C144H143F9N42O8 — CID 167550279

IUPAC3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nccn2-c2cc(NC3CC3)ncn2)cc(C(=O)Nc2ccc(-n3cccc3C)c(C(F)(F)F)c2)c1.Cc1ccc(C(=O)Nc2ccc(-n3ccnc3C)c(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NC4CC4)ncn3)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)c1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H33F3N10O2.C30H27F3N8O2.C29H26F3N9O.C28H32N8O2.C25H25N7O/c1-21-3-4-23(30(46)41-24-5-6-27(25(18-24)32(33,34)35)44-11-8-36-22(44)2)17-26(21)42-31-38-9-12-45(31)29-19-28(39-20-40-29)37-7-10-43-13-15-47-16-14-43;1-18-4-3-10-40(18)25-8-7-21(15-24(25)30(31,32)33)38-28(42)19-12-22(14-23(13-19)43-2)39-29-34-9-11-41(29)27-16-26(35-17-36-27)37-20-5-6-20;1-17-3-4-19(27(42)38-22-10-20(29(30,31)32)11-23(12-22)40-14-18(2)36-16-40)9-24(17)39-28-33-7-8-41(28)26-13-25(34-15-35-26)37-21-5-6-21;1-20-4-3-5-23(16-20)33-27(37)22-7-6-21(2)24(17-22)34-28-30-9-11-36(28)26-18-25(31-19-32-26)29-8-10-35-12-14-38-15-13-35;1-16-4-3-5-20(12-16)30-24(33)18-7-6-17(2)21(13-18)31-25-26-10-11-32(25)23-14-22(27-15-28-23)29-19-8-9-19/h3-6,8-9,11-12,17-20H,7,10,13-16H2,1-2H3,(H,38,42)(H,41,46)(H,37,39,40);3-4,7-17,20H,5-6H2,1-2H3,(H,34,39)(H,38,42)(H,35,36,37);3-4,7-16,21H,5-6H2,1-2H3,(H,33,39)(H,38,42)(H,34,35,37);3-7,9,11,16-19H,8,10,12-15H2,1-2H3,(H,30,34)(H,33,37)(H,29,31,32);3-7,10-15,19H,8-9H2,1-2H3,(H,26,31)(H,30,33)(H,27,28,29)
InChIKeyCHVJRTCLNIYIBN-UHFFFAOYSA-N
MW2761.00 g/mol
LogP26.50
Rot. Bonds43

About 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide

3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide (PubChem CID 167550279) has the molecular formula C144H143F9N42O8 and a molecular weight of 2761.00 g/mol. Its IUPAC name is 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
PubChem CID167550279
Molecular FormulaC144H143F9N42O8
Molecular Weight2761.00 g/mol
Exact Mass2759.19
IUPAC Name3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nccn2-c2cc(NC3CC3)ncn2)cc(C(=O)Nc2ccc(-n3cccc3C)c(C(F)(F)F)c2)c1.Cc1ccc(C(=O)Nc2ccc(-n3ccnc3C)c(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NC4CC4)ncn3)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)c1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H33F3N10O2.C30H27F3N8O2.C29H26F3N9O.C28H32N8O2.C25H25N7O/c1-21-3-4-23(30(46)41-24-5-6-27(25(18-24)32(33,34)35)44-11-8-36-22(44)2)17-26(21)42-31-38-9-12-45(31)29-19-28(39-20-40-29)37-7-10-43-13-15-47-16-14-43;1-18-4-3-10-40(18)25-8-7-21(15-24(25)30(31,32)33)38-28(42)19-12-22(14-23(13-19)43-2)39-29-34-9-11-41(29)27-16-26(35-17-36-27)37-20-5-6-20;1-17-3-4-19(27(42)38-22-10-20(29(30,31)32)11-23(12-22)40-14-18(2)36-16-40)9-24(17)39-28-33-7-8-41(28)26-13-25(34-15-35-26)37-21-5-6-21;1-20-4-3-5-23(16-20)33-27(37)22-7-6-21(2)24(17-22)34-28-30-9-11-36(28)26-18-25(31-19-32-26)29-8-10-35-12-14-38-15-13-35;1-16-4-3-5-20(12-16)30-24(33)18-7-6-17(2)21(13-18)31-25-26-10-11-32(25)23-14-22(27-15-28-23)29-19-8-9-19/h3-6,8-9,11-12,17-20H,7,10,13-16H2,1-2H3,(H,38,42)(H,41,46)(H,37,39,40);3-4,7-17,20H,5-6H2,1-2H3,(H,34,39)(H,38,42)(H,35,36,37);3-4,7-16,21H,5-6H2,1-2H3,(H,33,39)(H,38,42)(H,34,35,37);3-7,9,11,16-19H,8,10,12-15H2,1-2H3,(H,30,34)(H,33,37)(H,29,31,32);3-7,10-15,19H,8-9H2,1-2H3,(H,26,31)(H,30,33)(H,27,28,29)
InChIKeyCHVJRTCLNIYIBN-UHFFFAOYSA-N
XLogP26.50
TPSA558.54 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds43
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002761.00
LogP ≤ 526.50
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide with MolForge

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Related Compounds

3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-N,2-dimethylanilino]pyrimido[5,4-d]pyrimidin-1-ium-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[methyl-(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]methyl]-6-(oxolan-3-ylamino)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]-methylamino]-4-methylbenzamide
CID 90990081
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[6-(3-fluoropyrrolidin-1-yl)-1-[[2-[[6-(3-fluoropyrrolidin-1-yl)-1-[[2-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-4-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methylbenzamide
CID 91317143
[2-[2-[(3aS,7aR)-6-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazole-5-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129230255
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[2-[(3aS,7aR)-6-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-ethyl-7-methoxybenzimidazole-5-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 129230256
3-[[2-(2,6-dimethylanilino)-1-[6-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]imidazol-4-yl]methoxy]-5-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 130316494
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazol-5-yl]methanone;1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazol-5-yl]methanone
CID 145329766
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-5-[[(1R,4R,7R)-2-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-(2,2-difluoroethyl)-7-methoxybenzimidazole-5-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]amino]pyrrolo[2,3-b]pyridin-2-yl]-1-(2,2-difluoroethyl)-7-methoxybenzimidazol-5-yl]methanone
CID 145329897
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-4-yl]-[2-[5-[(3aS,7aR)-6-[2-[1-(cyclopropylmethyl)-6-methoxypyrrolo[2,3-b]pyridin-2-yl]-7-fluoro-1-methylbenzimidazole-5-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 156426960
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
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
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;5-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]pent-1-en-3-one;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylprop-2-en-1-one
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CID 157508959

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The IUPAC name of 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide (CID 167550279) is 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The canonical SMILES for 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide is COc1cc(Nc2nccn2-c2cc(NC3CC3)ncn2)cc(C(=O)Nc2ccc(-n3cccc3C)c(C(F)(F)F)c2)c1.Cc1ccc(C(=O)Nc2ccc(-n3ccnc3C)c(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NC4CC4)ncn3)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)c1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The InChIKey is CHVJRTCLNIYIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N10O2.C30H27F3N8O2.C29H26F3N9O.C28H32N8O2.C25H25N7O/c1-21-3-4-23(30(46)41-24-5-6-27(25(18-24)32(33,34)35)44-11-8-36-22(44)2)17-26(21)42-31-38-9-12-45(31)29-19-28(39-20-40-29)37-7-10-43-13-15-47-16-14-43;1-18-4-3-10-40(18)25-8-7-21(15-24(25)30(31,32)33)38-28(42)19-12-22(14-23(13-19)43-2)39-29-34-9-11-41(29)27-16-26(35-17-36-27)37-20-5-6-20;1-17-3-4-19(27(42)38-22-10-20(29(30,31)32)11-23(12-22)40-14-18(2)36-16-40)9-24(17)39-28-33-7-8-41(28)26-13-25(34-15-35-26)37-21-5-6-21;1-20-4-3-5-23(16-20)33-27(37)22-7-6-21(2)24(17-22)34-28-30-9-11-36(28)26-18-25(31-19-32-26)29-8-10-35-12-14-38-15-13-35;1-16-4-3-5-20(12-16)30-24(33)18-7-6-17(2)21(13-18)31-25-26-10-11-32(25)23-14-22(27-15-28-23)29-19-8-9-19/h3-6,8-9,11-12,17-20H,7,10,13-16H2,1-2H3,(H,38,42)(H,41,46)(H,37,39,40);3-4,7-17,20H,5-6H2,1-2H3,(H,34,39)(H,38,42)(H,35,36,37);3-4,7-16,21H,5-6H2,1-2H3,(H,33,39)(H,38,42)(H,34,35,37);3-7,9,11,16-19H,8,10,12-15H2,1-2H3,(H,30,34)(H,33,37)(H,29,31,32);3-7,10-15,19H,8-9H2,1-2H3,(H,26,31)(H,30,33)(H,27,28,29).
What are the key properties of 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide has a molecular weight of 2761.00 g/mol, XLogP of 26.50, 43 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide is sourced from PubChem (CID 167550279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).