N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide

C125H145ClF6N36O6 — CID 167584438

IUPACN-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NCCN5CCOCC5)ncn4)c3)cc2C(F)(F)F)CC1.Cc1cc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1
InChIInChI=1S/C35H43F3N10O2.C32H36F3N9O.C30H35N9O.C28H31ClN8O2/c1-3-45-12-14-47(15-13-45)23-27-6-7-28(21-29(27)35(36,37)38)43-33(49)26-5-4-25(2)30(20-26)44-34-40-9-11-48(34)32-22-31(41-24-42-32)39-8-10-46-16-18-50-19-17-46;1-3-42-12-14-43(15-13-42)19-23-6-7-25(17-26(23)32(33,34)35)40-30(45)22-5-4-21(2)27(16-22)41-31-36-10-11-44(31)29-18-28(37-20-38-29)39-24-8-9-24;1-21-3-6-23(29(40)35-25-7-4-22(5-8-25)19-38-15-13-37(2)14-16-38)17-26(21)36-30-31-11-12-39(30)28-18-27(32-20-33-28)34-24-9-10-24;1-19-3-4-21(27(38)34-22-5-6-23(29)20(2)15-22)16-24(19)35-28-31-8-10-37(28)26-17-25(32-18-33-26)30-7-9-36-11-13-39-14-12-36/h4-7,9,11,20-22,24H,3,8,10,12-19,23H2,1-2H3,(H,40,44)(H,43,49)(H,39,41,42);4-7,10-11,16-18,20,24H,3,8-9,12-15,19H2,1-2H3,(H,36,41)(H,40,45)(H,37,38,39);3-8,11-12,17-18,20,24H,9-10,13-16,19H2,1-2H3,(H,31,36)(H,35,40)(H,32,33,34);3-6,8,10,15-18H,7,9,11-14H2,1-2H3,(H,31,35)(H,34,38)(H,30,32,33)
InChIKeyHPGXLWDAIIUBTP-UHFFFAOYSA-N
MW2397.22 g/mol
LogP19.53
Rot. Bonds40

About N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide

N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide (PubChem CID 167584438) has the molecular formula C125H145ClF6N36O6 and a molecular weight of 2397.22 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
PubChem CID167584438
Molecular FormulaC125H145ClF6N36O6
Molecular Weight2397.22 g/mol
Exact Mass2395.17
IUPAC NameN-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NCCN5CCOCC5)ncn4)c3)cc2C(F)(F)F)CC1.Cc1cc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1
InChIInChI=1S/C35H43F3N10O2.C32H36F3N9O.C30H35N9O.C28H31ClN8O2/c1-3-45-12-14-47(15-13-45)23-27-6-7-28(21-29(27)35(36,37)38)43-33(49)26-5-4-25(2)30(20-26)44-34-40-9-11-48(34)32-22-31(41-24-42-32)39-8-10-46-16-18-50-19-17-46;1-3-42-12-14-43(15-13-42)19-23-6-7-25(17-26(23)32(33,34)35)40-30(45)22-5-4-21(2)27(16-22)41-31-36-10-11-44(31)29-18-28(37-20-38-29)39-24-8-9-24;1-21-3-6-23(29(40)35-25-7-4-22(5-8-25)19-38-15-13-37(2)14-16-38)17-26(21)36-30-31-11-12-39(30)28-18-27(32-20-33-28)34-24-9-10-24;1-19-3-4-21(27(38)34-22-5-6-23(29)20(2)15-22)16-24(19)35-28-31-8-10-37(28)26-17-25(32-18-33-26)30-7-9-36-11-13-39-14-12-36/h4-7,9,11,20-22,24H,3,8,10,12-19,23H2,1-2H3,(H,40,44)(H,43,49)(H,39,41,42);4-7,10-11,16-18,20,24H,3,8-9,12-15,19H2,1-2H3,(H,36,41)(H,40,45)(H,37,38,39);3-8,11-12,17-18,20,24H,9-10,13-16,19H2,1-2H3,(H,31,36)(H,35,40)(H,32,33,34);3-6,8,10,15-18H,7,9,11-14H2,1-2H3,(H,31,35)(H,34,38)(H,30,32,33)
InChIKeyHPGXLWDAIIUBTP-UHFFFAOYSA-N
XLogP19.53
TPSA431.42 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002397.22
LogP ≤ 519.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide with MolForge

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 58973131
N-[4-chloro-3-(1,1,2-trifluoroethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 68560699
N-[4-chloro-3-(2,2,2-trifluoroethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 68560704
N-[4-chloro-3-(1,2,2-trifluoroethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 68560709
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
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(oxolan-2-ylmethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-pyrrolidin-2-ylethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
CID 157373555
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
6-[3-Chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 160442096
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide (CID 167584438) is N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide is CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccn4-c4cc(NCCN5CCOCC5)ncn4)c3)cc2C(F)(F)F)CC1.Cc1cc(NC(=O)c2ccc(C)c(Nc3nccn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The InChIKey is HPGXLWDAIIUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43F3N10O2.C32H36F3N9O.C30H35N9O.C28H31ClN8O2/c1-3-45-12-14-47(15-13-45)23-27-6-7-28(21-29(27)35(36,37)38)43-33(49)26-5-4-25(2)30(20-26)44-34-40-9-11-48(34)32-22-31(41-24-42-32)39-8-10-46-16-18-50-19-17-46;1-3-42-12-14-43(15-13-42)19-23-6-7-25(17-26(23)32(33,34)35)40-30(45)22-5-4-21(2)27(16-22)41-31-36-10-11-44(31)29-18-28(37-20-38-29)39-24-8-9-24;1-21-3-6-23(29(40)35-25-7-4-22(5-8-25)19-38-15-13-37(2)14-16-38)17-26(21)36-30-31-11-12-39(30)28-18-27(32-20-33-28)34-24-9-10-24;1-19-3-4-21(27(38)34-22-5-6-23(29)20(2)15-22)16-24(19)35-28-31-8-10-37(28)26-17-25(32-18-33-26)30-7-9-36-11-13-39-14-12-36/h4-7,9,11,20-22,24H,3,8,10,12-19,23H2,1-2H3,(H,40,44)(H,43,49)(H,39,41,42);4-7,10-11,16-18,20,24H,3,8-9,12-15,19H2,1-2H3,(H,36,41)(H,40,45)(H,37,38,39);3-8,11-12,17-18,20,24H,9-10,13-16,19H2,1-2H3,(H,31,36)(H,35,40)(H,32,33,34);3-6,8,10,15-18H,7,9,11-14H2,1-2H3,(H,31,35)(H,34,38)(H,30,32,33).
What are the key properties of N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide has a molecular weight of 2397.22 g/mol, XLogP of 19.53, 40 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-4-methyl-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]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide is sourced from PubChem (CID 167584438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).