1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide

C146H146Cl2F4N40O8 — CID 159650103

IUPAC1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCN1CCN(c2c(F)cc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2F)CC1.CN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2F)CC1.COc1cc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCN(C)CC1.NC(=O)c1cn(-c2nc(Nc3ccc(N4CCCCC4)c(F)c3)ncc2Cl)c2ccccc12
InChIInChI=1S/C25H25ClN6O2.C25H27N7O2.C24H22ClFN6O.C24H23F2N7O.C24H24FN7O.C24H25N7O/c1-34-22-13-16(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;1-30-11-13-31(14-12-30)21-8-7-17(15-22(21)34-2)28-25-27-10-9-23(29-25)32-16-19(24(26)33)18-5-3-4-6-20(18)32;25-18-13-28-24(29-15-8-9-21(19(26)12-15)31-10-4-1-5-11-31)30-23(18)32-14-17(22(27)33)16-6-2-3-7-20(16)32;1-31-8-10-32(11-9-31)22-18(25)12-15(13-19(22)26)29-24-28-7-6-21(30-24)33-14-17(23(27)34)16-4-2-3-5-20(16)33;1-30-10-12-31(13-11-30)21-7-6-16(14-19(21)25)28-24-27-9-8-22(29-24)32-15-18(23(26)33)17-4-2-3-5-20(17)32;1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)27-24-26-11-10-22(28-24)31-16-20(23(25)32)19-4-2-3-5-21(19)31/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-10,15-16H,11-14H2,1-2H3,(H2,26,33)(H,27,28,29);2-3,6-9,12-14H,1,4-5,10-11H2,(H2,27,33)(H,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,27,34)(H,28,29,30);2-9,14-15H,10-13H2,1H3,(H2,26,33)(H,27,28,29);2-11,16H,12-15H2,1H3,(H2,25,32)(H,26,27,28)
InChIKeyMRLKJQLLTXQPSK-UHFFFAOYSA-N
MW2735.94 g/mol
LogP22.45
Rot. Bonds32

About 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide

1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 159650103) has the molecular formula C146H146Cl2F4N40O8 and a molecular weight of 2735.94 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
PubChem CID159650103
Molecular FormulaC146H146Cl2F4N40O8
Molecular Weight2735.94 g/mol
Exact Mass2733.16
IUPAC Name1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCN1CCN(c2c(F)cc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2F)CC1.CN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2F)CC1.COc1cc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCN(C)CC1.NC(=O)c1cn(-c2nc(Nc3ccc(N4CCCCC4)c(F)c3)ncc2Cl)c2ccccc12
InChIInChI=1S/C25H25ClN6O2.C25H27N7O2.C24H22ClFN6O.C24H23F2N7O.C24H24FN7O.C24H25N7O/c1-34-22-13-16(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;1-30-11-13-31(14-12-30)21-8-7-17(15-22(21)34-2)28-25-27-10-9-23(29-25)32-16-19(24(26)33)18-5-3-4-6-20(18)32;25-18-13-28-24(29-15-8-9-21(19(26)12-15)31-10-4-1-5-11-31)30-23(18)32-14-17(22(27)33)16-6-2-3-7-20(16)32;1-31-8-10-32(11-9-31)22-18(25)12-15(13-19(22)26)29-24-28-7-6-21(30-24)33-14-17(23(27)34)16-4-2-3-5-20(16)33;1-30-10-12-31(13-11-30)21-7-6-16(14-19(21)25)28-24-27-9-8-22(29-24)32-15-18(23(26)33)17-4-2-3-5-20(17)32;1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)27-24-26-11-10-22(28-24)31-16-20(23(25)32)19-4-2-3-5-21(19)31/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-10,15-16H,11-14H2,1-2H3,(H2,26,33)(H,27,28,29);2-3,6-9,12-14H,1,4-5,10-11H2,(H2,27,33)(H,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,27,34)(H,28,29,30);2-9,14-15H,10-13H2,1H3,(H2,26,33)(H,27,28,29);2-11,16H,12-15H2,1H3,(H2,25,32)(H,26,27,28)
InChIKeyMRLKJQLLTXQPSK-UHFFFAOYSA-N
XLogP22.45
TPSA565.84 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002735.94
LogP ≤ 522.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide with MolForge

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Related Compounds

n-(2,6-Difluorophenyl)-3-[3-(2-{[4-{4-[(1s,4s)-5-(2-fluoroethyl)-2,5-diazabicyclo-[2.2.1]hept-2-yl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 87090176
N-(2-fluoro-6-methylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 126740399
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[(1R,4R)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59860254
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 72580460
1-[2-[4-[2-(Dimethylamino)ethyl-methylamino]-3-methoxyanilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide
CID 139408174
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
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
potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide
CID 158684275
2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(5-piperidin-1-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159091216
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide (CID 159650103) is 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide is CN1CCN(c2c(F)cc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2F)CC1.CN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2F)CC1.COc1cc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCN(C)CC1.NC(=O)c1cn(-c2nc(Nc3ccc(N4CCCCC4)c(F)c3)ncc2Cl)c2ccccc12.
What is the InChIKey of 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
The InChIKey is MRLKJQLLTXQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2.C25H27N7O2.C24H22ClFN6O.C24H23F2N7O.C24H24FN7O.C24H25N7O/c1-34-22-13-16(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;1-30-11-13-31(14-12-30)21-8-7-17(15-22(21)34-2)28-25-27-10-9-23(29-25)32-16-19(24(26)33)18-5-3-4-6-20(18)32;25-18-13-28-24(29-15-8-9-21(19(26)12-15)31-10-4-1-5-11-31)30-23(18)32-14-17(22(27)33)16-6-2-3-7-20(16)32;1-31-8-10-32(11-9-31)22-18(25)12-15(13-19(22)26)29-24-28-7-6-21(30-24)33-14-17(23(27)34)16-4-2-3-5-20(16)33;1-30-10-12-31(13-11-30)21-7-6-16(14-19(21)25)28-24-27-9-8-22(29-24)32-15-18(23(26)33)17-4-2-3-5-20(17)32;1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)27-24-26-11-10-22(28-24)31-16-20(23(25)32)19-4-2-3-5-21(19)31/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H2,27,33)(H,28,29,30);3-10,15-16H,11-14H2,1-2H3,(H2,26,33)(H,27,28,29);2-3,6-9,12-14H,1,4-5,10-11H2,(H2,27,33)(H,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,27,34)(H,28,29,30);2-9,14-15H,10-13H2,1H3,(H2,26,33)(H,27,28,29);2-11,16H,12-15H2,1H3,(H2,25,32)(H,26,27,28).
What are the key properties of 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 2735.94 g/mol, XLogP of 22.45, 32 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-fluoro-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-(3-methoxy-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3,5-difluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 159650103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).