N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide

C140H167ClN40O15 — CID 160764404

IUPACN-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(C)c4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C30H36N8O3.2C28H34N8O3.C27H31ClN8O3.C27H32N8O3/c1-6-29(39)32-23-18-24(27(41-5)19-26(23)36(3)15-16-37-13-7-8-14-37)33-30-31-12-11-28(34-30)38-25-17-21(40-4)9-10-22(25)20(2)35-38;1-8-26(37)31-21-14-22(25(39-7)15-24(21)35(5)12-11-34(3)4)32-28-29-16-18(2)27(33-28)36-23-10-9-20(38-6)13-19(23)17-30-36;1-8-26(37)31-21-14-22(25(39-7)15-24(21)35(5)12-11-34(3)4)32-28-29-16-18(2)27(33-28)36-23-13-20(38-6)10-9-19(23)17-30-36;1-7-25(37)31-20-13-21(24(39-6)14-23(20)35(4)11-10-34(2)3)32-27-29-16-19(28)26(33-27)36-22-9-8-18(38-5)12-17(22)15-30-36;1-7-26(36)30-20-15-21(24(38-6)16-23(20)34(4)13-12-33(2)3)31-27-28-11-10-25(32-27)35-22-9-8-19(37-5)14-18(22)17-29-35/h6,9-12,17-19H,1,7-8,13-16H2,2-5H3,(H,32,39)(H,31,33,34);2*8-10,13-17H,1,11-12H2,2-7H3,(H,31,37)(H,29,32,33);7-9,12-16H,1,10-11H2,2-6H3,(H,31,37)(H,29,32,33);7-11,14-17H,1,12-13H2,2-6H3,(H,30,36)(H,28,31,32)
InChIKeyRYMKNUFNCIIIFM-UHFFFAOYSA-N
MW2685.59 g/mol
LogP20.61
Rot. Bonds55

About N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide

N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide (PubChem CID 160764404) has the molecular formula C140H167ClN40O15 and a molecular weight of 2685.59 g/mol. Its IUPAC name is N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide
PubChem CID160764404
Molecular FormulaC140H167ClN40O15
Molecular Weight2685.59 g/mol
Exact Mass2683.32
IUPAC NameN-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(C)c4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C30H36N8O3.2C28H34N8O3.C27H31ClN8O3.C27H32N8O3/c1-6-29(39)32-23-18-24(27(41-5)19-26(23)36(3)15-16-37-13-7-8-14-37)33-30-31-12-11-28(34-30)38-25-17-21(40-4)9-10-22(25)20(2)35-38;1-8-26(37)31-21-14-22(25(39-7)15-24(21)35(5)12-11-34(3)4)32-28-29-16-18(2)27(33-28)36-23-10-9-20(38-6)13-19(23)17-30-36;1-8-26(37)31-21-14-22(25(39-7)15-24(21)35(5)12-11-34(3)4)32-28-29-16-18(2)27(33-28)36-23-13-20(38-6)10-9-19(23)17-30-36;1-7-25(37)31-20-13-21(24(39-6)14-23(20)35(4)11-10-34(2)3)32-27-29-16-19(28)26(33-27)36-22-9-8-18(38-5)12-17(22)15-30-36;1-7-26(36)30-20-15-21(24(38-6)16-23(20)34(4)13-12-33(2)3)31-27-28-11-10-25(32-27)35-22-9-8-19(37-5)14-18(22)17-29-35/h6,9-12,17-19H,1,7-8,13-16H2,2-5H3,(H,32,39)(H,31,33,34);2*8-10,13-17H,1,11-12H2,2-7H3,(H,31,37)(H,29,32,33);7-9,12-16H,1,10-11H2,2-6H3,(H,31,37)(H,29,32,33);7-11,14-17H,1,12-13H2,2-6H3,(H,30,36)(H,28,31,32)
InChIKeyRYMKNUFNCIIIFM-UHFFFAOYSA-N
XLogP20.61
TPSA548.35 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds55
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002685.59
LogP ≤ 520.61
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-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-{5-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxy-2-[4-methylpiperazin-1-yl]phenyl}prop-2-enamide
CID 73292361
N-(5-{[5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl]amino}-4-methoxy-2-{methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino}phenyl)prop-2-enamide
CID 86677274
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxy-2-[4-(piperazine-1-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 118719579
(Z)-N-[2-(4-acetylpiperazin-1-yl)-5-[[4-(5-fluoroindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-3-[1-[1-[4-[[4-(5-fluoroindol-1-yl)pyrimidin-2-yl]amino]-5-methoxy-2-(prop-2-enoylamino)phenyl]piperidin-4-yl]piperidin-3-yl]prop-2-enamide
CID 130197218
(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;N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-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 157131582
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-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(6-isocyano-1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 157331752
N-[5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[[7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;[7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate
CID 157476128
N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1-(dimethylsulfamoyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 159061132
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-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;[7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate
CID 159754287

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?
The IUPAC name of N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide (CID 160764404) is N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3ncc4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(C)c4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?
The InChIKey is RYMKNUFNCIIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O3.2C28H34N8O3.C27H31ClN8O3.C27H32N8O3/c1-6-29(39)32-23-18-24(27(41-5)19-26(23)36(3)15-16-37-13-7-8-14-37)33-30-31-12-11-28(34-30)38-25-17-21(40-4)9-10-22(25)20(2)35-38;1-8-26(37)31-21-14-22(25(39-7)15-24(21)35(5)12-11-34(3)4)32-28-29-16-18(2)27(33-28)36-23-10-9-20(38-6)13-19(23)17-30-36;1-8-26(37)31-21-14-22(25(39-7)15-24(21)35(5)12-11-34(3)4)32-28-29-16-18(2)27(33-28)36-23-13-20(38-6)10-9-19(23)17-30-36;1-7-25(37)31-20-13-21(24(39-6)14-23(20)35(4)11-10-34(2)3)32-27-29-16-19(28)26(33-27)36-22-9-8-18(38-5)12-17(22)15-30-36;1-7-26(36)30-20-15-21(24(38-6)16-23(20)34(4)13-12-33(2)3)31-27-28-11-10-25(32-27)35-22-9-8-19(37-5)14-18(22)17-29-35/h6,9-12,17-19H,1,7-8,13-16H2,2-5H3,(H,32,39)(H,31,33,34);2*8-10,13-17H,1,11-12H2,2-7H3,(H,31,37)(H,29,32,33);7-9,12-16H,1,10-11H2,2-6H3,(H,31,37)(H,29,32,33);7-11,14-17H,1,12-13H2,2-6H3,(H,30,36)(H,28,31,32).
What are the key properties of N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?
N-[5-[[5-chloro-4-(5-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide has a molecular weight of 2685.59 g/mol, XLogP of 20.61, 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-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-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 160764404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).