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

C182H202F13N47O10 — CID 158271550

IUPAC1-[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
SMILESCCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)Cc3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)N(C)c3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2)CC1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)N(C)c2cccc(C(F)(F)F)c2)c1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H35F3N8O.C31H36F2N8O2.C31H35F2N7O2.C31H36N8O.C29H31F3N8O2.C28H29F3N8O2/c1-2-41-12-14-42(15-13-41)20-24-7-6-22(16-27(24)32(33,34)35)17-28(44)23-4-3-5-26(18-23)40-31-36-10-11-43(31)30-19-29(37-21-38-30)39-25-8-9-25;1-5-40-12-7-10-25(40)19-35-27-18-28(37-20-36-27)41-13-11-34-30(41)38-23-14-21(15-26(17-23)43-4)29(42)39(3)24-9-6-8-22(16-24)31(2,32)33;1-4-39-11-6-9-25(39)19-35-28-18-29(37-20-36-28)40-12-10-34-30(40)38-24-15-22(16-26(17-24)42-3)27(41)14-21-7-5-8-23(13-21)31(2,32)33;1-2-37-14-16-38(17-15-37)21-24-8-6-23(7-9-24)18-28(40)25-4-3-5-27(19-25)36-31-32-12-13-39(31)30-20-29(33-22-34-30)35-26-10-11-26;1-38(23-7-5-6-21(16-23)29(30,31)32)27(41)20-14-22(17-24(15-20)42-2)37-28-34-9-13-40(28)26-18-25(35-19-36-26)33-8-12-39-10-3-4-11-39;1-41-23-14-19(26(40)36-21-6-4-5-20(15-21)28(29,30)31)13-22(16-23)37-27-33-8-12-39(27)25-17-24(34-18-35-25)32-7-11-38-9-2-3-10-38/h3-7,10-11,16,18-19,21,25H,2,8-9,12-15,17,20H2,1H3,(H,36,40)(H,37,38,39);6,8-9,11,13-18,20,25H,5,7,10,12,19H2,1-4H3,(H,34,38)(H,35,36,37);5,7-8,10,12-13,15-18,20,25H,4,6,9,11,14,19H2,1-3H3,(H,34,38)(H,35,36,37);3-9,12-13,19-20,22,26H,2,10-11,14-18,21H2,1H3,(H,32,36)(H,33,34,35);5-7,9,13-19H,3-4,8,10-12H2,1-2H3,(H,34,37)(H,33,35,36);4-6,8,12-18H,2-3,7,9-11H2,1H3,(H,33,37)(H,36,40)(H,32,34,35)
InChIKeyGJCAIEAAULHOLW-UHFFFAOYSA-N
MW3454.91 g/mol
LogP32.06
Rot. Bonds65

About 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

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 (PubChem CID 158271550) has the molecular formula C182H202F13N47O10 and a molecular weight of 3454.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158271550
Molecular FormulaC182H202F13N47O10
Molecular Weight3454.91 g/mol
Exact Mass3452.65
IUPAC Name1-[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
SMILESCCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)Cc3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)N(C)c3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2)CC1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)N(C)c2cccc(C(F)(F)F)c2)c1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H35F3N8O.C31H36F2N8O2.C31H35F2N7O2.C31H36N8O.C29H31F3N8O2.C28H29F3N8O2/c1-2-41-12-14-42(15-13-41)20-24-7-6-22(16-27(24)32(33,34)35)17-28(44)23-4-3-5-26(18-23)40-31-36-10-11-43(31)30-19-29(37-21-38-30)39-25-8-9-25;1-5-40-12-7-10-25(40)19-35-27-18-28(37-20-36-27)41-13-11-34-30(41)38-23-14-21(15-26(17-23)43-4)29(42)39(3)24-9-6-8-22(16-24)31(2,32)33;1-4-39-11-6-9-25(39)19-35-28-18-29(37-20-36-28)40-12-10-34-30(40)38-24-15-22(16-26(17-24)42-3)27(41)14-21-7-5-8-23(13-21)31(2,32)33;1-2-37-14-16-38(17-15-37)21-24-8-6-23(7-9-24)18-28(40)25-4-3-5-27(19-25)36-31-32-12-13-39(31)30-20-29(33-22-34-30)35-26-10-11-26;1-38(23-7-5-6-21(16-23)29(30,31)32)27(41)20-14-22(17-24(15-20)42-2)37-28-34-9-13-40(28)26-18-25(35-19-36-26)33-8-12-39-10-3-4-11-39;1-41-23-14-19(26(40)36-21-6-4-5-20(15-21)28(29,30)31)13-22(16-23)37-27-33-8-12-39(27)25-17-24(34-18-35-25)32-7-11-38-9-2-3-10-38/h3-7,10-11,16,18-19,21,25H,2,8-9,12-15,17,20H2,1H3,(H,36,40)(H,37,38,39);6,8-9,11,13-18,20,25H,5,7,10,12,19H2,1-4H3,(H,34,38)(H,35,36,37);5,7-8,10,12-13,15-18,20,25H,4,6,9,11,14,19H2,1-3H3,(H,34,38)(H,35,36,37);3-9,12-13,19-20,22,26H,2,10-11,14-18,21H2,1H3,(H,32,36)(H,33,34,35);5-7,9,13-19H,3-4,8,10-12H2,1-2H3,(H,34,37)(H,33,35,36);4-6,8,12-18H,2-3,7,9-11H2,1H3,(H,33,37)(H,36,40)(H,32,34,35)
InChIKeyGJCAIEAAULHOLW-UHFFFAOYSA-N
XLogP32.06
TPSA589.73 Ų
H-Bond Donors13
H-Bond Acceptors54
Rotatable Bonds65
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003454.91
LogP ≤ 532.06
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1054

Analyze 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 with MolForge

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Related Compounds

3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-methoxybenzamide
CID 118687976
4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1,2-dimethylcyclobutane
CID 145113953
3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-5-(trifluoromethyl)phenyl]-5-methoxybenzamide
CID 155318667
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
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4S)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 157339716
2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline
CID 157342048
N-(3-bromophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[3-(difluoromethoxy)phenyl]-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[3-(dimethylamino)phenyl]-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(3-methoxyphenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 157508959
(5R)-5-[4-[1-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)phenyl]imidazolidine-2,4-dione
CID 157526938
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
1-[3-[7-(4-Amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;5,5-difluoro-1-[3-propan-2-yloxy-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]hexan-2-one;1-[3-[7-(5,6-dimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(2,6-dimethylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
CID 157538439
3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide;4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide;4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 157613639
CID 157666522
CID 157666522

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)Cc3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)N(C)c3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2)CC1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)N(C)c2cccc(C(F)(F)F)c2)c1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 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?
The InChIKey is GJCAIEAAULHOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N8O.C31H36F2N8O2.C31H35F2N7O2.C31H36N8O.C29H31F3N8O2.C28H29F3N8O2/c1-2-41-12-14-42(15-13-41)20-24-7-6-22(16-27(24)32(33,34)35)17-28(44)23-4-3-5-26(18-23)40-31-36-10-11-43(31)30-19-29(37-21-38-30)39-25-8-9-25;1-5-40-12-7-10-25(40)19-35-27-18-28(37-20-36-27)41-13-11-34-30(41)38-23-14-21(15-26(17-23)43-4)29(42)39(3)24-9-6-8-22(16-24)31(2,32)33;1-4-39-11-6-9-25(39)19-35-28-18-29(37-20-36-28)40-12-10-34-30(40)38-24-15-22(16-26(17-24)42-3)27(41)14-21-7-5-8-23(13-21)31(2,32)33;1-2-37-14-16-38(17-15-37)21-24-8-6-23(7-9-24)18-28(40)25-4-3-5-27(19-25)36-31-32-12-13-39(31)30-20-29(33-22-34-30)35-26-10-11-26;1-38(23-7-5-6-21(16-23)29(30,31)32)27(41)20-14-22(17-24(15-20)42-2)37-28-34-9-13-40(28)26-18-25(35-19-36-26)33-8-12-39-10-3-4-11-39;1-41-23-14-19(26(40)36-21-6-4-5-20(15-21)28(29,30)31)13-22(16-23)37-27-33-8-12-39(27)25-17-24(34-18-35-25)32-7-11-38-9-2-3-10-38/h3-7,10-11,16,18-19,21,25H,2,8-9,12-15,17,20H2,1H3,(H,36,40)(H,37,38,39);6,8-9,11,13-18,20,25H,5,7,10,12,19H2,1-4H3,(H,34,38)(H,35,36,37);5,7-8,10,12-13,15-18,20,25H,4,6,9,11,14,19H2,1-3H3,(H,34,38)(H,35,36,37);3-9,12-13,19-20,22,26H,2,10-11,14-18,21H2,1H3,(H,32,36)(H,33,34,35);5-7,9,13-19H,3-4,8,10-12H2,1-2H3,(H,34,37)(H,33,35,36);4-6,8,12-18H,2-3,7,9-11H2,1H3,(H,33,37)(H,36,40)(H,32,34,35).
What are the key properties of 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?
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 has a molecular weight of 3454.91 g/mol, XLogP of 32.06, 65 rotatable bonds, 13 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158271550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).