N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide

C139H164Cl4N40O15 — CID 160511727

IUPACN-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C)c(-n3nc(C)c4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4c(OC)cccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C29H36N8O3.C28H33ClN8O3.C28H34N8O3.C27H30Cl2N8O3.C27H31ClN8O3/c1-9-27(38)31-22-15-23(26(40-8)16-25(22)36(6)13-12-35(4)5)32-29-30-17-18(2)28(33-29)37-24-11-10-20(39-7)14-21(24)19(3)34-37;1-8-25(38)31-20-14-21(24(39-6)15-23(20)36(5)12-11-35(3)4)32-28-30-16-17(2)26(33-28)37-22-10-9-18(29)13-19(22)27(34-37)40-7;1-8-26(37)31-20-14-21(25(39-7)15-23(20)35(5)13-12-34(3)4)32-28-29-16-18(2)27(33-28)36-22-10-9-11-24(38-6)19(22)17-30-36;1-7-24(38)31-19-13-20(23(39-5)14-22(19)36(4)11-10-35(2)3)32-27-30-15-18(29)25(33-27)37-21-9-8-16(28)12-17(21)26(34-37)40-6;1-7-25(37)30-19-15-20(23(38-5)16-22(19)35(4)13-12-34(2)3)31-27-29-11-10-24(32-27)36-21-9-8-17(28)14-18(21)26(33-36)39-6/h9-11,14-17H,1,12-13H2,2-8H3,(H,31,38)(H,30,32,33);8-10,13-16H,1,11-12H2,2-7H3,(H,31,38)(H,30,32,33);8-11,14-17H,1,12-13H2,2-7H3,(H,31,37)(H,29,32,33);7-9,12-15H,1,10-11H2,2-6H3,(H,31,38)(H,30,32,33);7-11,14-16H,1,12-13H2,2-6H3,(H,30,37)(H,29,31,32)
InChIKeyQTDCHEBSOWCHAR-UHFFFAOYSA-N
MW2776.92 g/mol
LogP22.34
Rot. Bonds55

About N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 160511727) has the molecular formula C139H164Cl4N40O15 and a molecular weight of 2776.92 g/mol. Its IUPAC name is N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID160511727
Molecular FormulaC139H164Cl4N40O15
Molecular Weight2776.92 g/mol
Exact Mass2773.21
IUPAC NameN-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C)c(-n3nc(C)c4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4c(OC)cccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C29H36N8O3.C28H33ClN8O3.C28H34N8O3.C27H30Cl2N8O3.C27H31ClN8O3/c1-9-27(38)31-22-15-23(26(40-8)16-25(22)36(6)13-12-35(4)5)32-29-30-17-18(2)28(33-29)37-24-11-10-20(39-7)14-21(24)19(3)34-37;1-8-25(38)31-20-14-21(24(39-6)15-23(20)36(5)12-11-35(3)4)32-28-30-16-17(2)26(33-28)37-22-10-9-18(29)13-19(22)27(34-37)40-7;1-8-26(37)31-20-14-21(25(39-7)15-23(20)35(5)13-12-34(3)4)32-28-29-16-18(2)27(33-28)36-22-10-9-11-24(38-6)19(22)17-30-36;1-7-24(38)31-19-13-20(23(39-5)14-22(19)36(4)11-10-35(2)3)32-27-30-15-18(29)25(33-27)37-21-9-8-16(28)12-17(21)26(34-37)40-6;1-7-25(37)30-19-15-20(23(38-5)16-22(19)35(4)13-12-34(2)3)31-27-29-11-10-24(32-27)36-21-9-8-17(28)14-18(21)26(33-36)39-6/h9-11,14-17H,1,12-13H2,2-8H3,(H,31,38)(H,30,32,33);8-10,13-16H,1,11-12H2,2-7H3,(H,31,38)(H,30,32,33);8-11,14-17H,1,12-13H2,2-7H3,(H,31,37)(H,29,32,33);7-9,12-15H,1,10-11H2,2-6H3,(H,31,38)(H,30,32,33);7-11,14-16H,1,12-13H2,2-6H3,(H,30,37)(H,29,31,32)
InChIKeyQTDCHEBSOWCHAR-UHFFFAOYSA-N
XLogP22.34
TPSA548.35 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds55
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002776.92
LogP ≤ 522.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 157240484
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[6-[1-methyl-7-(trifluoromethyl)indazol-5-yl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 159367071
2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 159460276
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 160145812
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide
CID 160240221
N-[5-[[5-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(methylamino)ethyl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methoxy-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-5-[[5-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 161391778
2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide
CID 161679531
N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-chloropyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-isocyano-4-[7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 162060063
N-[4-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-ylphenyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-ethoxy-2-morpholin-4-ylphenyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-4-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 164071425
1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 68618902
1,2-Bis[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 68618904
1,2,4-Tris[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)-3-hydroxy-4-methyliminobutan-1-one
CID 90902874

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 160511727) is N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3nc(C)c4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4c(OC)cccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(OC)c4cc(Cl)ccc43)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is QTDCHEBSOWCHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O3.C28H33ClN8O3.C28H34N8O3.C27H30Cl2N8O3.C27H31ClN8O3/c1-9-27(38)31-22-15-23(26(40-8)16-25(22)36(6)13-12-35(4)5)32-29-30-17-18(2)28(33-29)37-24-11-10-20(39-7)14-21(24)19(3)34-37;1-8-25(38)31-20-14-21(24(39-6)15-23(20)36(5)12-11-35(3)4)32-28-30-16-17(2)26(33-28)37-22-10-9-18(29)13-19(22)27(34-37)40-7;1-8-26(37)31-20-14-21(25(39-7)15-23(20)35(5)13-12-34(3)4)32-28-29-16-18(2)27(33-28)36-22-10-9-11-24(38-6)19(22)17-30-36;1-7-24(38)31-19-13-20(23(39-5)14-22(19)36(4)11-10-35(2)3)32-27-30-15-18(29)25(33-27)37-21-9-8-16(28)12-17(21)26(34-37)40-6;1-7-25(37)30-19-15-20(23(38-5)16-22(19)35(4)13-12-34(2)3)31-27-29-11-10-24(32-27)36-21-9-8-17(28)14-18(21)26(33-36)39-6/h9-11,14-17H,1,12-13H2,2-8H3,(H,31,38)(H,30,32,33);8-10,13-16H,1,11-12H2,2-7H3,(H,31,38)(H,30,32,33);8-11,14-17H,1,12-13H2,2-7H3,(H,31,37)(H,29,32,33);7-9,12-15H,1,10-11H2,2-6H3,(H,31,38)(H,30,32,33);7-11,14-16H,1,12-13H2,2-6H3,(H,30,37)(H,29,31,32).
What are the key properties of N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide?
N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2776.92 g/mol, XLogP of 22.34, 55 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-chloro-4-(5-chloro-3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5-chloro-3-methoxyindazol-1-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-(4-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3-methylindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 160511727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).