1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide

C146H150ClN37O8S — CID 158454184

IUPAC1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
SMILESCNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)c(Cl)c3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3cccc(N4CCCCC4)c3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3cccc(N4CCN(C)CC4)c3)n2)c2ccccc12
InChIInChI=1S/C25H25ClN6O.2C25H27N7O.2C25H26N6O.C21H19N5O3S/c1-27-24(33)19-16-32(21-8-4-3-7-18(19)21)23-11-12-28-25(30-23)29-17-9-10-22(20(26)15-17)31-13-5-2-6-14-31;1-26-24(33)21-17-32(22-9-4-3-8-20(21)22)23-10-11-27-25(29-23)28-18-6-5-7-19(16-18)31-14-12-30(2)13-15-31;1-26-24(33)21-17-32(22-6-4-3-5-20(21)22)23-11-12-27-25(29-23)28-18-7-9-19(10-8-18)31-15-13-30(2)14-16-31;1-26-24(32)21-17-31(22-11-4-3-10-20(21)22)23-12-13-27-25(29-23)28-18-8-7-9-19(16-18)30-14-5-2-6-15-30;1-26-24(32)21-17-31(22-8-4-3-7-20(21)22)23-13-14-27-25(29-23)28-18-9-11-19(12-10-18)30-15-5-2-6-16-30;1-22-20(27)17-13-26(18-6-4-3-5-16(17)18)19-11-12-23-21(25-19)24-14-7-9-15(10-8-14)30(2,28)29/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,33)(H,28,29,30);3-11,16-17H,12-15H2,1-2H3,(H,26,33)(H,27,28,29);3-12,17H,13-16H2,1-2H3,(H,26,33)(H,27,28,29);3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,26,32)(H,27,28,29);3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,26,32)(H,27,28,29);3-13H,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyHEJFCEJDFQWIGQ-UHFFFAOYSA-N
MW2618.58 g/mol
LogP23.67
Rot. Bonds30

About 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide

1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 158454184) has the molecular formula C146H150ClN37O8S and a molecular weight of 2618.58 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
PubChem CID158454184
Molecular FormulaC146H150ClN37O8S
Molecular Weight2618.58 g/mol
Exact Mass2616.19
IUPAC Name1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
SMILESCNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)c(Cl)c3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3cccc(N4CCCCC4)c3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3cccc(N4CCN(C)CC4)c3)n2)c2ccccc12
InChIInChI=1S/C25H25ClN6O.2C25H27N7O.2C25H26N6O.C21H19N5O3S/c1-27-24(33)19-16-32(21-8-4-3-7-18(19)21)23-11-12-28-25(30-23)29-17-9-10-22(20(26)15-17)31-13-5-2-6-14-31;1-26-24(33)21-17-32(22-9-4-3-8-20(21)22)23-10-11-27-25(29-23)28-18-6-5-7-19(16-18)31-14-12-30(2)13-15-31;1-26-24(33)21-17-32(22-6-4-3-5-20(21)22)23-11-12-27-25(29-23)28-18-7-9-19(10-8-18)31-15-13-30(2)14-16-31;1-26-24(32)21-17-31(22-11-4-3-10-20(21)22)23-12-13-27-25(29-23)28-18-8-7-9-19(16-18)30-14-5-2-6-15-30;1-26-24(32)21-17-31(22-8-4-3-7-20(21)22)23-13-14-27-25(29-23)28-18-9-11-19(12-10-18)30-15-5-2-6-16-30;1-22-20(27)17-13-26(18-6-4-3-5-16(17)18)19-11-12-23-21(25-19)24-14-7-9-15(10-8-14)30(2,28)29/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,33)(H,28,29,30);3-11,16-17H,12-15H2,1-2H3,(H,26,33)(H,27,28,29);3-12,17H,13-16H2,1-2H3,(H,26,33)(H,27,28,29);3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,26,32)(H,27,28,29);3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,26,32)(H,27,28,29);3-13H,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyHEJFCEJDFQWIGQ-UHFFFAOYSA-N
XLogP23.67
TPSA487.86 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002618.58
LogP ≤ 523.67
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide with MolForge

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Related Compounds

(E)-N-[4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]pent-2-enamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]benzamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]benzamide;N-[3-[[5-chloro-4-(1-methylindol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 157142094
N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[5-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methylphenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;(E)-N-[4-[[3-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]-4-(dimethylamino)but-2-enamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)-5-propan-2-ylpyrimidin-2-yl]amino]phenyl]benzamide
CID 157387956
(7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157742176
(E)-N-[4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]pent-2-enamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]phenyl]-4-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-N-methylbenzamide;N-[3-[[5-chloro-4-(1-methylindol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 157810101
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide
CID 158005143
CID 158241171
CID 158241171
(E)-N-[4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]pent-2-enamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]benzamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]benzamide;N-[3-[[5-chloro-4-(1-methylindol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 158256393
N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-methylbenzamide;N-[5-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methylphenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;(E)-N-[4-[[3-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]-4-(dimethylamino)but-2-enamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)-5-propan-2-ylpyrimidin-2-yl]amino]phenyl]benzamide
CID 158446110
1-[2-[4-(4-Acetylpiperazin-1-yl)-3-fluoroanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methyl-4-(4-propanoylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methyl-4-(4-prop-2-enoylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 158635047
(E)-N-[4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]pent-2-enamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]benzamide;(Z)-N-[4-[1-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-methylanilino]ethenyl]phenyl]-2-cyano-3-phenylprop-2-enamide;N-[3-[[5-chloro-4-(1-methylindol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 158739791
(E)-N-[4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]pent-2-enamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]benzamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]phenyl]-4-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-N-methylbenzamide;N-[3-[[5-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 159487677
4-[(3S)-4-[3-(7-chloro-2,3-dihydroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159852080

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide (CID 158454184) is 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide is CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)c(Cl)c3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3cccc(N4CCCCC4)c3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3cccc(N4CCN(C)CC4)c3)n2)c2ccccc12.
What is the InChIKey of 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The InChIKey is HEJFCEJDFQWIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O.2C25H27N7O.2C25H26N6O.C21H19N5O3S/c1-27-24(33)19-16-32(21-8-4-3-7-18(19)21)23-11-12-28-25(30-23)29-17-9-10-22(20(26)15-17)31-13-5-2-6-14-31;1-26-24(33)21-17-32(22-9-4-3-8-20(21)22)23-10-11-27-25(29-23)28-18-6-5-7-19(16-18)31-14-12-30(2)13-15-31;1-26-24(33)21-17-32(22-6-4-3-5-20(21)22)23-11-12-27-25(29-23)28-18-7-9-19(10-8-18)31-15-13-30(2)14-16-31;1-26-24(32)21-17-31(22-11-4-3-10-20(21)22)23-12-13-27-25(29-23)28-18-8-7-9-19(16-18)30-14-5-2-6-15-30;1-26-24(32)21-17-31(22-8-4-3-7-20(21)22)23-13-14-27-25(29-23)28-18-9-11-19(12-10-18)30-15-5-2-6-16-30;1-22-20(27)17-13-26(18-6-4-3-5-16(17)18)19-11-12-23-21(25-19)24-14-7-9-15(10-8-14)30(2,28)29/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,33)(H,28,29,30);3-11,16-17H,12-15H2,1-2H3,(H,26,33)(H,27,28,29);3-12,17H,13-16H2,1-2H3,(H,26,33)(H,27,28,29);3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,26,32)(H,27,28,29);3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,26,32)(H,27,28,29);3-13H,1-2H3,(H,22,27)(H,23,24,25).
What are the key properties of 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 2618.58 g/mol, XLogP of 23.67, 30 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 158454184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).