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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone

C129H152ClF3N32O6 — CID 161055066

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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
SMILESCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NCCN5CCOCC5)ncn4)c3)cc2C)CC1.Cc1cc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1
InChIInChI=1S/C36H47N9O2.C33H37F3N8O.C31H36N8O.C29H32ClN7O2/c1-4-42-13-15-44(16-14-42)25-31-8-6-29(21-28(31)3)22-33(46)30-7-5-27(2)32(23-30)41-36-38-10-12-45(36)35-24-34(39-26-40-35)37-9-11-43-17-19-47-20-18-43;1-3-42-12-14-43(15-13-42)20-25-7-5-23(16-27(25)33(34,35)36)17-29(45)24-6-4-22(2)28(18-24)41-32-37-10-11-44(32)31-19-30(38-21-39-31)40-26-8-9-26;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;1-20-3-5-23(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/h5-8,10,12,21,23-24,26H,4,9,11,13-20,22,25H2,1-3H3,(H,38,41)(H,37,39,40);4-7,10-11,16,18-19,21,26H,3,8-9,12-15,17,20H2,1-2H3,(H,37,41)(H,38,39,40);3-8,11-12,18-19,21,26H,9-10,13-17,20H2,1-2H3,(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)
InChIKeyUCQFVXWGNFJYCB-UHFFFAOYSA-N
MW2339.30 g/mol
LogP19.51
Rot. Bonds44

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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone (PubChem CID 161055066) has the molecular formula C129H152ClF3N32O6 and a molecular weight of 2339.30 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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
PubChem CID161055066
Molecular FormulaC129H152ClF3N32O6
Molecular Weight2339.30 g/mol
Exact Mass2337.22
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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
SMILESCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NCCN5CCOCC5)ncn4)c3)cc2C)CC1.Cc1cc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1
InChIInChI=1S/C36H47N9O2.C33H37F3N8O.C31H36N8O.C29H32ClN7O2/c1-4-42-13-15-44(16-14-42)25-31-8-6-29(21-28(31)3)22-33(46)30-7-5-27(2)32(23-30)41-36-38-10-12-45(36)35-24-34(39-26-40-35)37-9-11-43-17-19-47-20-18-43;1-3-42-12-14-43(15-13-42)20-25-7-5-23(16-27(25)33(34,35)36)17-29(45)24-6-4-22(2)28(18-24)41-32-37-10-11-44(32)31-19-30(38-21-39-31)40-26-8-9-26;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;1-20-3-5-23(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/h5-8,10,12,21,23-24,26H,4,9,11,13-20,22,25H2,1-3H3,(H,38,41)(H,37,39,40);4-7,10-11,16,18-19,21,26H,3,8-9,12-15,17,20H2,1-2H3,(H,37,41)(H,38,39,40);3-8,11-12,18-19,21,26H,9-10,13-17,20H2,1-2H3,(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)
InChIKeyUCQFVXWGNFJYCB-UHFFFAOYSA-N
XLogP19.51
TPSA383.30 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002339.30
LogP ≤ 519.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

4-chloro-2-[2-chloro-5-[[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]carbamoyl]-3-(trifluoromethyl)phenyl]-N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87297850
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 145004826
5-[[6-[1'-acetyl-1-[3-[3-[2-[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-4-[4-chloro-2-fluoro-5-(propan-2-ylcarbamoyl)anilino]imidazo[4,5-c]pyridin-3-yl]propyl]piperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N-[1-(methoxymethyl)cyclopropyl]-2-methylbenzamide
CID 148364756
1-(6-amino-3-pyridinyl)-2-[3-[4-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(4-chlorophenyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-[3-[4-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-[4-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]anilino]methanethiol
CID 157876903
1-[4-Chloro-3-[2-(dimethylamino)ethylamino]-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-(4-ethylpiperazin-1-yl)-4-methyl-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone
CID 158670385
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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-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 159175016
1-[3-[[1-[6-(Cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 160098397
1-[3-[[1-[6-(Cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
CID 160487342
1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
CID 160548724
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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-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 160829579
1-[3-[[2-(3-aminophenyl)-5H-cyclopenta[d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[[2-(4-chlorophenyl)-5H-cyclopenta[d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(2-phenyl-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 161733334
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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
CID 161926813

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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone (CID 161055066) 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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone is CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NCCN5CCOCC5)ncn4)c3)cc2C)CC1.Cc1cc(CC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1.
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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone?
The InChIKey is UCQFVXWGNFJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N9O2.C33H37F3N8O.C31H36N8O.C29H32ClN7O2/c1-4-42-13-15-44(16-14-42)25-31-8-6-29(21-28(31)3)22-33(46)30-7-5-27(2)32(23-30)41-36-38-10-12-45(36)35-24-34(39-26-40-35)37-9-11-43-17-19-47-20-18-43;1-3-42-12-14-43(15-13-42)20-25-7-5-23(16-27(25)33(34,35)36)17-29(45)24-6-4-22(2)28(18-24)41-32-37-10-11-44(32)31-19-30(38-21-39-31)40-26-8-9-26;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;1-20-3-5-23(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/h5-8,10,12,21,23-24,26H,4,9,11,13-20,22,25H2,1-3H3,(H,38,41)(H,37,39,40);4-7,10-11,16,18-19,21,26H,3,8-9,12-15,17,20H2,1-2H3,(H,37,41)(H,38,39,40);3-8,11-12,18-19,21,26H,9-10,13-17,20H2,1-2H3,(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).
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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone has a molecular weight of 2339.30 g/mol, XLogP of 19.51, 44 rotatable bonds, 8 hydrogen bond donors, and 38 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]-4-methylphenyl]-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-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 161055066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).