1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide

C158H172ClF5N42O7 — CID 159246598

IUPAC1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCN(CCN1CCCC1)c1ccc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(CCN1CCCC1)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(CCN1CCCC1)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1F.CN(CCN1CCCC1)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1F.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN1CCCC1.Cc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN1CCCC1
InChIInChI=1S/C27H30FN7O.C27H31N7O2.C26H28ClN7O.C26H27F2N7O.2C26H28FN7O/c1-18-15-19(9-10-23(18)33(2)13-14-34-11-5-6-12-34)31-27-30-16-22(28)26(32-27)35-17-21(25(29)36)20-7-3-4-8-24(20)35;1-32(15-16-33-13-5-6-14-33)23-10-9-19(17-24(23)36-2)30-27-29-12-11-25(31-27)34-18-21(26(28)35)20-7-3-4-8-22(20)34;1-32(14-15-33-12-4-5-13-33)19-10-8-18(9-11-19)30-26-29-16-22(27)25(31-26)34-17-21(24(28)35)20-6-2-3-7-23(20)34;1-33(12-13-34-10-4-5-11-34)23-9-8-17(14-20(23)27)31-26-30-15-21(28)25(32-26)35-16-19(24(29)36)18-6-2-3-7-22(18)35;1-32(14-15-33-12-4-5-13-33)19-10-8-18(9-11-19)30-26-29-16-22(27)25(31-26)34-17-21(24(28)35)20-6-2-3-7-23(20)34;1-32(14-15-33-12-4-5-13-33)23-9-8-18(16-21(23)27)30-26-29-11-10-24(31-26)34-17-20(25(28)35)19-6-2-3-7-22(19)34/h3-4,7-10,15-17H,5-6,11-14H2,1-2H3,(H2,29,36)(H,30,31,32);3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H2,28,35)(H,29,30,31);2-3,6-11,16-17H,4-5,12-15H2,1H3,(H2,28,35)(H,29,30,31);2-3,6-9,14-16H,4-5,10-13H2,1H3,(H2,29,36)(H,30,31,32);2*2-3,6-11,16-17H,4-5,12-15H2,1H3,(H2,28,35)(H,29,30,31)
InChIKeyKUTJARPIUDNZEM-UHFFFAOYSA-N
MW2901.84 g/mol
LogP24.44
Rot. Bonds49

About 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide

1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 159246598) has the molecular formula C158H172ClF5N42O7 and a molecular weight of 2901.84 g/mol. Its IUPAC name is 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide
PubChem CID159246598
Molecular FormulaC158H172ClF5N42O7
Molecular Weight2901.84 g/mol
Exact Mass2899.40
IUPAC Name1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCN(CCN1CCCC1)c1ccc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(CCN1CCCC1)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(CCN1CCCC1)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1F.CN(CCN1CCCC1)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1F.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN1CCCC1.Cc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN1CCCC1
InChIInChI=1S/C27H30FN7O.C27H31N7O2.C26H28ClN7O.C26H27F2N7O.2C26H28FN7O/c1-18-15-19(9-10-23(18)33(2)13-14-34-11-5-6-12-34)31-27-30-16-22(28)26(32-27)35-17-21(25(29)36)20-7-3-4-8-24(20)35;1-32(15-16-33-13-5-6-14-33)23-10-9-19(17-24(23)36-2)30-27-29-12-11-25(31-27)34-18-21(26(28)35)20-7-3-4-8-22(20)34;1-32(14-15-33-12-4-5-13-33)19-10-8-18(9-11-19)30-26-29-16-22(27)25(31-26)34-17-21(24(28)35)20-6-2-3-7-23(20)34;1-33(12-13-34-10-4-5-11-34)23-9-8-17(14-20(23)27)31-26-30-15-21(28)25(32-26)35-16-19(24(29)36)18-6-2-3-7-22(18)35;1-32(14-15-33-12-4-5-13-33)19-10-8-18(9-11-19)30-26-29-16-22(27)25(31-26)34-17-21(24(28)35)20-6-2-3-7-23(20)34;1-32(14-15-33-12-4-5-13-33)23-9-8-18(16-21(23)27)30-26-29-11-10-24(31-26)34-17-20(25(28)35)19-6-2-3-7-22(19)34/h3-4,7-10,15-17H,5-6,11-14H2,1-2H3,(H2,29,36)(H,30,31,32);3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H2,28,35)(H,29,30,31);2-3,6-11,16-17H,4-5,12-15H2,1H3,(H2,28,35)(H,29,30,31);2-3,6-9,14-16H,4-5,10-13H2,1H3,(H2,29,36)(H,30,31,32);2*2-3,6-11,16-17H,4-5,12-15H2,1H3,(H2,28,35)(H,29,30,31)
InChIKeyKUTJARPIUDNZEM-UHFFFAOYSA-N
XLogP24.44
TPSA563.09 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds49
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.84
LogP ≤ 524.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]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
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
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
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CID 158588368

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide (CID 159246598) is 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide is CN(CCN1CCCC1)c1ccc(Nc2ncc(Cl)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(CCN1CCCC1)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(CCN1CCCC1)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1F.CN(CCN1CCCC1)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1F.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN1CCCC1.Cc1cc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN1CCCC1.
What is the InChIKey of 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?
The InChIKey is KUTJARPIUDNZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O.C27H31N7O2.C26H28ClN7O.C26H27F2N7O.2C26H28FN7O/c1-18-15-19(9-10-23(18)33(2)13-14-34-11-5-6-12-34)31-27-30-16-22(28)26(32-27)35-17-21(25(29)36)20-7-3-4-8-24(20)35;1-32(15-16-33-13-5-6-14-33)23-10-9-19(17-24(23)36-2)30-27-29-12-11-25(31-27)34-18-21(26(28)35)20-7-3-4-8-22(20)34;1-32(14-15-33-12-4-5-13-33)19-10-8-18(9-11-19)30-26-29-16-22(27)25(31-26)34-17-21(24(28)35)20-6-2-3-7-23(20)34;1-33(12-13-34-10-4-5-11-34)23-9-8-17(14-20(23)27)31-26-30-15-21(28)25(32-26)35-16-19(24(29)36)18-6-2-3-7-22(18)35;1-32(14-15-33-12-4-5-13-33)19-10-8-18(9-11-19)30-26-29-16-22(27)25(31-26)34-17-21(24(28)35)20-6-2-3-7-23(20)34;1-32(14-15-33-12-4-5-13-33)23-9-8-18(16-21(23)27)30-26-29-11-10-24(31-26)34-17-20(25(28)35)19-6-2-3-7-22(19)34/h3-4,7-10,15-17H,5-6,11-14H2,1-2H3,(H2,29,36)(H,30,31,32);3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H2,28,35)(H,29,30,31);2-3,6-11,16-17H,4-5,12-15H2,1H3,(H2,28,35)(H,29,30,31);2-3,6-9,14-16H,4-5,10-13H2,1H3,(H2,29,36)(H,30,31,32);2*2-3,6-11,16-17H,4-5,12-15H2,1H3,(H2,28,35)(H,29,30,31).
What are the key properties of 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?
1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 2901.84 g/mol, XLogP of 24.44, 49 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-methoxy-4-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 159246598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).