1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide

C149H149ClF4N36O7 — CID 158743542

IUPAC1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
SMILESCOc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cc(-n2cc(C(N)=O)c3ccccc32)nc(Nc2ccc(N3CCCCC3)cc2)n1.Cc1cc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1-n1cc(C(N)=O)c2ccccc21.NC(=O)c1cn(-c2nc(Nc3ccc(N4CCCCC4)c(F)c3)ncc2F)c2ccccc12
InChIInChI=1S/C25H25ClN6O.C25H25FN6O2.C25H25FN6O.2C25H26N6O.C24H22F2N6O/c1-16-13-17(9-10-21(16)31-11-5-2-6-12-31)29-25-28-14-20(26)24(30-25)32-15-19(23(27)33)18-7-3-4-8-22(18)32;1-34-22-13-16(9-10-21(22)31-11-5-2-6-12-31)29-25-28-14-19(26)24(30-25)32-15-18(23(27)33)17-7-3-4-8-20(17)32;1-16-13-17(9-10-21(16)31-11-5-2-6-12-31)29-25-28-14-20(26)24(30-25)32-15-19(23(27)33)18-7-3-4-8-22(18)32;1-17-15-27-25(28-18-9-11-19(12-10-18)30-13-5-2-6-14-30)29-24(17)31-16-21(23(26)32)20-7-3-4-8-22(20)31;1-17-15-23(31-16-21(24(26)32)20-7-3-4-8-22(20)31)29-25(27-17)28-18-9-11-19(12-10-18)30-13-5-2-6-14-30;25-18-12-15(8-9-21(18)31-10-4-1-5-11-31)29-24-28-13-19(26)23(30-24)32-14-17(22(27)33)16-6-2-3-7-20(16)32/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);2*3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H2,26,32)(H,27,28,29);2-3,6-9,12-14H,1,4-5,10-11H2,(H2,27,33)(H,28,29,30)
InChIKeyIMPIHVWFSGNTAY-UHFFFAOYSA-N
MW2667.52 g/mol
LogP27.97
Rot. Bonds31

About 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide

1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 158743542) has the molecular formula C149H149ClF4N36O7 and a molecular weight of 2667.52 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
PubChem CID158743542
Molecular FormulaC149H149ClF4N36O7
Molecular Weight2667.52 g/mol
Exact Mass2665.20
IUPAC Name1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
SMILESCOc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cc(-n2cc(C(N)=O)c3ccccc32)nc(Nc2ccc(N3CCCCC3)cc2)n1.Cc1cc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1-n1cc(C(N)=O)c2ccccc21.NC(=O)c1cn(-c2nc(Nc3ccc(N4CCCCC4)c(F)c3)ncc2F)c2ccccc12
InChIInChI=1S/C25H25ClN6O.C25H25FN6O2.C25H25FN6O.2C25H26N6O.C24H22F2N6O/c1-16-13-17(9-10-21(16)31-11-5-2-6-12-31)29-25-28-14-20(26)24(30-25)32-15-19(23(27)33)18-7-3-4-8-22(18)32;1-34-22-13-16(9-10-21(22)31-11-5-2-6-12-31)29-25-28-14-19(26)24(30-25)32-15-18(23(27)33)17-7-3-4-8-20(17)32;1-16-13-17(9-10-21(16)31-11-5-2-6-12-31)29-25-28-14-20(26)24(30-25)32-15-19(23(27)33)18-7-3-4-8-22(18)32;1-17-15-27-25(28-18-9-11-19(12-10-18)30-13-5-2-6-14-30)29-24(17)31-16-21(23(26)32)20-7-3-4-8-22(20)31;1-17-15-23(31-16-21(24(26)32)20-7-3-4-8-22(20)31)29-25(27-17)28-18-9-11-19(12-10-18)30-13-5-2-6-14-30;25-18-12-15(8-9-21(18)31-10-4-1-5-11-31)29-24-28-13-19(26)23(30-24)32-14-17(22(27)33)16-6-2-3-7-20(16)32/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);2*3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H2,26,32)(H,27,28,29);2-3,6-9,12-14H,1,4-5,10-11H2,(H2,27,33)(H,28,29,30)
InChIKeyIMPIHVWFSGNTAY-UHFFFAOYSA-N
XLogP27.97
TPSA543.65 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002667.52
LogP ≤ 527.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide with MolForge

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Related Compounds

1-[5-Fluoro-2-(3-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
CID 139408198
1-[5-Fluoro-2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408464
7-[[2-[2-methoxy-4-[2-[[4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyridin-2-yl]amino]-3-oxo-1H-isoindol-2-yl]methyl]morpholin-4-yl]anilino]-5-(trifluoromethyl)pyridin-4-yl]amino]-2-methyl-3H-isoindol-1-one
CID 145477945
7-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;2-methoxy-4-morpholin-4-ylaniline;7-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
CID 157597354
3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methoxy-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)amino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 157753450
5-(3-cyclopentylimidazo[1,5-a]pyridin-8-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(2,3,4,6-tetradeuterio-5-methylphenyl)pyridine-3-carboxamide;2-methyl-N-(4-methylphenyl)-5-[3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 157838085
1-[2-(2-Chloro-3-methylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3-fluoro-5-methylanilino)pyrimidin-4-yl]indole-3-carboxamide;bis(1-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]indole-3-carboxamide);1-[2-[3-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 158471375
(4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 158588368
2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159274531
6-amino-3-methyl-1,3-benzoxazol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 159333952
N-[5-[[4-(8,8-difluoro-7,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-oxo-1,2-dihydropyrrolo[1,2-a]indol-4-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 159445068
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3-fluoro-3-methylpiperidine-1-carboxamide;N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3-fluoro-3-methylpyrrolidine-1-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(cyclopropylcarbamoylamino)indol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-2-ylmethylcarbamoylamino)indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;methane
CID 159449986

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide (CID 158743542) is 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide is COc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cc(-n2cc(C(N)=O)c3ccccc32)nc(Nc2ccc(N3CCCCC3)cc2)n1.Cc1cc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1-n1cc(C(N)=O)c2ccccc21.NC(=O)c1cn(-c2nc(Nc3ccc(N4CCCCC4)c(F)c3)ncc2F)c2ccccc12.
What is the InChIKey of 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The InChIKey is IMPIHVWFSGNTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O.C25H25FN6O2.C25H25FN6O.2C25H26N6O.C24H22F2N6O/c1-16-13-17(9-10-21(16)31-11-5-2-6-12-31)29-25-28-14-20(26)24(30-25)32-15-19(23(27)33)18-7-3-4-8-22(18)32;1-34-22-13-16(9-10-21(22)31-11-5-2-6-12-31)29-25-28-14-19(26)24(30-25)32-15-18(23(27)33)17-7-3-4-8-20(17)32;1-16-13-17(9-10-21(16)31-11-5-2-6-12-31)29-25-28-14-20(26)24(30-25)32-15-19(23(27)33)18-7-3-4-8-22(18)32;1-17-15-27-25(28-18-9-11-19(12-10-18)30-13-5-2-6-14-30)29-24(17)31-16-21(23(26)32)20-7-3-4-8-22(20)31;1-17-15-23(31-16-21(24(26)32)20-7-3-4-8-22(20)31)29-25(27-17)28-18-9-11-19(12-10-18)30-13-5-2-6-14-30;25-18-12-15(8-9-21(18)31-10-4-1-5-11-31)29-24-28-13-19(26)23(30-24)32-14-17(22(27)33)16-6-2-3-7-20(16)32/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);2*3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H2,26,32)(H,27,28,29);2-3,6-9,12-14H,1,4-5,10-11H2,(H2,27,33)(H,28,29,30).
What are the key properties of 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 2667.52 g/mol, XLogP of 27.97, 31 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 158743542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).