3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide

C149H125F17N26O10S — CID 158263184

IUPAC3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCC(=O)Nc1ccnc(Nc2cc(C(=O)Nc3cc(-n4ccc(C)c4)cc(C(F)(F)F)c3)ccc2C)n1.Cc1ccc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)cc1.Cc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NS(=O)(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C28H23F3N6O2S.C26H23F3N6O2.C26H22F3N3O2.C25H20F3N3O2.C25H21F2N5O.C19H16F3N3O/c1-18-8-9-24(15-26(18)35-27-32-11-10-25(34-27)20-6-4-3-5-7-20)40(38,39)36-22-12-21(28(29,30)31)13-23(14-22)37-16-19(2)33-17-37;1-15-7-9-35(14-15)21-12-19(26(27,28)29)11-20(13-21)32-24(37)18-5-4-16(2)22(10-18)33-25-30-8-6-23(34-25)31-17(3)36;1-17-8-9-20(10-24(17)34-15-19-6-4-3-5-7-19)25(33)31-22-11-21(26(27,28)29)12-23(13-22)32-14-18(2)30-16-32;1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31;1-16-8-9-17(23(33)30-20-7-3-6-19(14-20)25(2,26)27)13-22(16)32-24-29-12-10-21(31-24)18-5-4-11-28-15-18;1-12-3-5-14(6-4-12)18(26)24-16-7-15(19(20,21)22)8-17(9-16)25-10-13(2)23-11-25/h3-17,36H,1-2H3,(H,32,34,35);4-14H,1-3H3,(H,32,37)(H2,30,31,33,34,36);3-14,16H,15H2,1-2H3,(H,31,33);3-15H,1-2H3,(H,30,32);3-15H,1-2H3,(H,30,33)(H,29,31,32);3-11H,1-2H3,(H,24,26)
InChIKeyGICWAAOJVJNCHA-UHFFFAOYSA-N
MW2794.84 g/mol
LogP35.97
Rot. Bonds33

About 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide

3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 158263184) has the molecular formula C149H125F17N26O10S and a molecular weight of 2794.84 g/mol. Its IUPAC name is 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID158263184
Molecular FormulaC149H125F17N26O10S
Molecular Weight2794.84 g/mol
Exact Mass2792.95
IUPAC Name3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCC(=O)Nc1ccnc(Nc2cc(C(=O)Nc3cc(-n4ccc(C)c4)cc(C(F)(F)F)c3)ccc2C)n1.Cc1ccc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)cc1.Cc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NS(=O)(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C28H23F3N6O2S.C26H23F3N6O2.C26H22F3N3O2.C25H20F3N3O2.C25H21F2N5O.C19H16F3N3O/c1-18-8-9-24(15-26(18)35-27-32-11-10-25(34-27)20-6-4-3-5-7-20)40(38,39)36-22-12-21(28(29,30)31)13-23(14-22)37-16-19(2)33-17-37;1-15-7-9-35(14-15)21-12-19(26(27,28)29)11-20(13-21)32-24(37)18-5-4-16(2)22(10-18)33-25-30-8-6-23(34-25)31-17(3)36;1-17-8-9-20(10-24(17)34-15-19-6-4-3-5-7-19)25(33)31-22-11-21(26(27,28)29)12-23(13-22)32-14-18(2)30-16-32;1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31;1-16-8-9-17(23(33)30-20-7-3-6-19(14-20)25(2,26)27)13-22(16)32-24-29-12-10-21(31-24)18-5-4-11-28-15-18;1-12-3-5-14(6-4-12)18(26)24-16-7-15(19(20,21)22)8-17(9-16)25-10-13(2)23-11-25/h3-17,36H,1-2H3,(H,32,34,35);4-14H,1-3H3,(H,32,37)(H2,30,31,33,34,36);3-14,16H,15H2,1-2H3,(H,31,33);3-15H,1-2H3,(H,30,32);3-15H,1-2H3,(H,30,33)(H,29,31,32);3-11H,1-2H3,(H,24,26)
InChIKeyGICWAAOJVJNCHA-UHFFFAOYSA-N
XLogP35.97
TPSA441.76 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002794.84
LogP ≤ 535.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

CID 163923996
CID 163923996
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide;3-isoquinolin-8-yloxy-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 157900413
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide
CID 159191953
8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
CID 159193246
2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine
CID 159658167
N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;3-isoquinolin-8-yloxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 160014558
N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;3-isoquinolin-8-yloxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 161161356
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide
CID 162213466
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide;3-isoquinolin-8-yloxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 163653474
CID 163947303
CID 163947303
3-(3-cyanophenoxy)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;(2S)-1-[[3-[[3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzoyl]amino]-5-(3-methylpyrrol-1-yl)phenyl]methyl]piperidine-2-carboxamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzenesulfinamide;3-isoquinolin-8-yloxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide
CID 164121774

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide (CID 158263184) is 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide is CC(=O)Nc1ccnc(Nc2cc(C(=O)Nc3cc(-n4ccc(C)c4)cc(C(F)(F)F)c3)ccc2C)n1.Cc1ccc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)cc1.Cc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NS(=O)(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is GICWAAOJVJNCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N6O2S.C26H23F3N6O2.C26H22F3N3O2.C25H20F3N3O2.C25H21F2N5O.C19H16F3N3O/c1-18-8-9-24(15-26(18)35-27-32-11-10-25(34-27)20-6-4-3-5-7-20)40(38,39)36-22-12-21(28(29,30)31)13-23(14-22)37-16-19(2)33-17-37;1-15-7-9-35(14-15)21-12-19(26(27,28)29)11-20(13-21)32-24(37)18-5-4-16(2)22(10-18)33-25-30-8-6-23(34-25)31-17(3)36;1-17-8-9-20(10-24(17)34-15-19-6-4-3-5-7-19)25(33)31-22-11-21(26(27,28)29)12-23(13-22)32-14-18(2)30-16-32;1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31;1-16-8-9-17(23(33)30-20-7-3-6-19(14-20)25(2,26)27)13-22(16)32-24-29-12-10-21(31-24)18-5-4-11-28-15-18;1-12-3-5-14(6-4-12)18(26)24-16-7-15(19(20,21)22)8-17(9-16)25-10-13(2)23-11-25/h3-17,36H,1-2H3,(H,32,34,35);4-14H,1-3H3,(H,32,37)(H2,30,31,33,34,36);3-14,16H,15H2,1-2H3,(H,31,33);3-15H,1-2H3,(H,30,32);3-15H,1-2H3,(H,30,33)(H,29,31,32);3-11H,1-2H3,(H,24,26).
What are the key properties of 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 2794.84 g/mol, XLogP of 35.97, 33 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 158263184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).