2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide

C125H149ClF12N24O17S4 — CID 158313871

IUPAC2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide
SMILESCOc1cc(C(=O)NC2CCN(c3ccccc3)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(CN2CCCC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1ccc(CCc2nc(Nc3ccc(C(=O)NC4CCC(N5CCOCC5)CC4)cc3OC)ncc2C(F)(F)F)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C35H39F3N6O4S.C34H43F3N6O6S.C28H33ClF3N7O4S.C28H34F3N5O3S/c1-23-10-11-24(31(20-23)43(2)49(4,46)47)12-14-29-28(35(36,37)38)22-39-34(41-29)42-30-15-13-25(21-32(30)48-3)33(45)40-26-16-18-44(19-17-26)27-8-6-5-7-9-27;1-42(50(4,45)46)30-20-26(47-2)12-5-22(30)6-13-28-27(34(35,36)37)21-38-33(40-28)41-29-14-7-23(19-31(29)48-3)32(44)39-24-8-10-25(11-9-24)43-15-17-49-18-16-43;1-16-6-7-17(23(10-16)39(3)44(5,41)42)13-33-25-20(28(30,31)32)14-34-27(37-25)36-22-12-21(29)19(11-24(22)43-4)26(40)35-18-8-9-38(2)15-18;1-19-7-9-21(25(15-19)35(2)40(4,37)38)10-12-23-22(28(29,30)31)17-32-27(33-23)34-24-11-8-20(16-26(24)39-3)18-36-13-5-6-14-36/h5-11,13,15,20-22,26H,12,14,16-19H2,1-4H3,(H,40,45)(H,39,41,42);5,7,12,14,19-21,24-25H,6,8-11,13,15-18H2,1-4H3,(H,39,44)(H,38,40,41);6-7,10-12,14,18H,8-9,13,15H2,1-5H3,(H,35,40)(H2,33,34,36,37);7-9,11,15-17H,5-6,10,12-14,18H2,1-4H3,(H,32,33,34)/t;;18-;/m..1./s1
InChIKeyGNZYPDVLVVYGSC-WGLOWRSCSA-N
MW2651.41 g/mol
LogP20.93
Rot. Bonds43

About 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide

2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide (PubChem CID 158313871) has the molecular formula C125H149ClF12N24O17S4 and a molecular weight of 2651.41 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide
PubChem CID158313871
Molecular FormulaC125H149ClF12N24O17S4
Molecular Weight2651.41 g/mol
Exact Mass2648.99
IUPAC Name2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide
SMILESCOc1cc(C(=O)NC2CCN(c3ccccc3)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(CN2CCCC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1ccc(CCc2nc(Nc3ccc(C(=O)NC4CCC(N5CCOCC5)CC4)cc3OC)ncc2C(F)(F)F)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C35H39F3N6O4S.C34H43F3N6O6S.C28H33ClF3N7O4S.C28H34F3N5O3S/c1-23-10-11-24(31(20-23)43(2)49(4,46)47)12-14-29-28(35(36,37)38)22-39-34(41-29)42-30-15-13-25(21-32(30)48-3)33(45)40-26-16-18-44(19-17-26)27-8-6-5-7-9-27;1-42(50(4,45)46)30-20-26(47-2)12-5-22(30)6-13-28-27(34(35,36)37)21-38-33(40-28)41-29-14-7-23(19-31(29)48-3)32(44)39-24-8-10-25(11-9-24)43-15-17-49-18-16-43;1-16-6-7-17(23(10-16)39(3)44(5,41)42)13-33-25-20(28(30,31)32)14-34-27(37-25)36-22-12-21(29)19(11-24(22)43-4)26(40)35-18-8-9-38(2)15-18;1-19-7-9-21(25(15-19)35(2)40(4,37)38)10-12-23-22(28(29,30)31)17-32-27(33-23)34-24-11-8-20(16-26(24)39-3)18-36-13-5-6-14-36/h5-11,13,15,20-22,26H,12,14,16-19H2,1-4H3,(H,40,45)(H,39,41,42);5,7,12,14,19-21,24-25H,6,8-11,13,15-18H2,1-4H3,(H,39,44)(H,38,40,41);6-7,10-12,14,18H,8-9,13,15H2,1-5H3,(H,35,40)(H2,33,34,36,37);7-9,11,15-17H,5-6,10,12-14,18H2,1-4H3,(H,32,33,34)/t;;18-;/m..1./s1
InChIKeyGNZYPDVLVVYGSC-WGLOWRSCSA-N
XLogP20.93
TPSA468.43 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds43
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002651.41
LogP ≤ 520.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-[2-[2-[2-[4-[(benzylamino)methyl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide;3-methoxy-N-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 157073584
N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 157263497
2-chloro-5-methoxy-4-[[4-[[(1S,2R)-2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;2-chloro-5-methoxy-4-[[4-[[(1S,2R)-2-[methyl(methylsulfonyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-chloro-4-[[(1S,2R)-2-[methyl(methylsulfonyl)amino]cyclopentyl]methyl]pyrimidin-2-yl]amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 157674570
2-chloro-4-[[5-chloro-4-[[(1S,2R)-2-[methyl(methylsulfonyl)amino]cyclopentyl]methyl]pyrimidin-2-yl]amino]-5-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide;methane;N-[3-methoxy-4-[[4-[[(1S,2R)-2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[[(1S,2R)-2-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxan-4-yl)benzamide
CID 157685722
2-chloro-4-[[5-chloro-4-[[(1S,2R)-2-[methyl(methylsulfonyl)amino]cyclopentyl]methyl]pyrimidin-2-yl]amino]-5-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide;N-[(1R,2S)-2-[[5-chloro-2-[2-methoxy-5-methyl-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]pyrimidin-4-yl]methyl]cyclohexyl]-N-methylmethanesulfonamide;N-[3-methoxy-4-[[4-[[(1S,2R)-2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 157697951
N-[(2S)-2-[[2-(5-chloro-2-methoxy-4-piperazin-1-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentyl]-N-methylmethanesulfonamide;N-[(1R,2S)-2-[[2-(5-chloro-2-methoxy-4-propanoylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexyl]-N-methylmethanesulfonamide;methane;5-methoxy-N-(2-methoxyethyl)-2-methyl-4-[[4-[[(1S)-2-[methyl(methylsulfonyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 157952504
N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane
CID 158196503
2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-[5-fluoro-2-[2-[2-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]-N-methylmethanesulfonamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;N-[2-[2-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide
CID 158290355
5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate
CID 158400929
N-(1-acetylpiperidin-4-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-propan-2-ylpiperidin-3-yl]benzamide
CID 158566874
N-[(1R,2S)-2-[[5-[amino(difluoro)methyl]-2-(5-chloro-2-methoxy-4-propanoylanilino)pyrimidin-4-yl]methyl]cyclohexyl]-N-methylmethanesulfonamide;N-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-4-[[(1S,2R)-2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine;5-methoxy-N-(2-methoxyethyl)-2-methyl-4-[[4-[[(1S,2R)-2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 158572587
N-[(3aS,5S,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[2-[2-[2-[4-[(cyclopentylamino)methyl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[2-[2-[4-(ethylaminomethyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxolan-3-yl)benzamide
CID 158673380

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide?
The IUPAC name of 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide (CID 158313871) is 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide is COc1cc(C(=O)NC2CCN(c3ccccc3)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(CN2CCCC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1ccc(CCc2nc(Nc3ccc(C(=O)NC4CCC(N5CCOCC5)CC4)cc3OC)ncc2C(F)(F)F)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide?
The InChIKey is GNZYPDVLVVYGSC-WGLOWRSCSA-N. The full InChI is InChI=1S/C35H39F3N6O4S.C34H43F3N6O6S.C28H33ClF3N7O4S.C28H34F3N5O3S/c1-23-10-11-24(31(20-23)43(2)49(4,46)47)12-14-29-28(35(36,37)38)22-39-34(41-29)42-30-15-13-25(21-32(30)48-3)33(45)40-26-16-18-44(19-17-26)27-8-6-5-7-9-27;1-42(50(4,45)46)30-20-26(47-2)12-5-22(30)6-13-28-27(34(35,36)37)21-38-33(40-28)41-29-14-7-23(19-31(29)48-3)32(44)39-24-8-10-25(11-9-24)43-15-17-49-18-16-43;1-16-6-7-17(23(10-16)39(3)44(5,41)42)13-33-25-20(28(30,31)32)14-34-27(37-25)36-22-12-21(29)19(11-24(22)43-4)26(40)35-18-8-9-38(2)15-18;1-19-7-9-21(25(15-19)35(2)40(4,37)38)10-12-23-22(28(29,30)31)17-32-27(33-23)34-24-11-8-20(16-26(24)39-3)18-36-13-5-6-14-36/h5-11,13,15,20-22,26H,12,14,16-19H2,1-4H3,(H,40,45)(H,39,41,42);5,7,12,14,19-21,24-25H,6,8-11,13,15-18H2,1-4H3,(H,39,44)(H,38,40,41);6-7,10-12,14,18H,8-9,13,15H2,1-5H3,(H,35,40)(H2,33,34,36,37);7-9,11,15-17H,5-6,10,12-14,18H2,1-4H3,(H,32,33,34)/t;;18-;/m..1./s1.
What are the key properties of 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide?
2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide has a molecular weight of 2651.41 g/mol, XLogP of 20.93, 43 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide;N-[2-[2-[2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-5-methylphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 158313871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).