1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide

C150H171Cl2FN42O8 — CID 159931889

IUPAC1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCC(C)Oc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C.CN(C)CCCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1Cl.CN(C)CCN(C)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1Cl.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C.Cc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C
InChIInChI=1S/C27H33N7O2.C25H28ClN7O.C25H29N7O2.C25H29N7O.C24H26ClN7O.C24H26FN7O/c1-18(2)36-24-16-19(10-11-23(24)33(5)15-14-32(3)4)30-27-29-13-12-25(31-27)34-17-21(26(28)35)20-8-6-7-9-22(20)34;1-31(2)13-6-14-32(3)22-10-9-17(15-20(22)26)29-25-28-12-11-23(30-25)33-16-19(24(27)34)18-7-4-5-8-21(18)33;1-30(2)13-14-31(3)21-10-9-17(15-22(21)34-4)28-25-27-12-11-23(29-25)32-16-19(24(26)33)18-7-5-6-8-20(18)32;1-17-15-18(9-10-21(17)31(4)14-13-30(2)3)28-25-27-12-11-23(29-25)32-16-20(24(26)33)19-7-5-6-8-22(19)32;1-30(2)12-13-31(3)21-9-8-16(14-19(21)25)28-24-27-11-10-22(29-24)32-15-18(23(26)33)17-6-4-5-7-20(17)32;1-30(2)12-13-31(3)17-10-8-16(9-11-17)28-24-27-14-20(25)23(29-24)32-15-19(22(26)33)18-6-4-5-7-21(18)32/h6-13,16-18H,14-15H2,1-5H3,(H2,28,35)(H,29,30,31);4-5,7-12,15-16H,6,13-14H2,1-3H3,(H2,27,34)(H,28,29,30);5-12,15-16H,13-14H2,1-4H3,(H2,26,33)(H,27,28,29);5-12,15-16H,13-14H2,1-4H3,(H2,26,33)(H,27,28,29);2*4-11,14-15H,12-13H2,1-3H3,(H2,26,33)(H,27,28,29)
InChIKeyNZTBTOUXAAYEAB-UHFFFAOYSA-N
MW2780.21 g/mol
LogP22.51
Rot. Bonds52

About 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide

1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 159931889) has the molecular formula C150H171Cl2FN42O8 and a molecular weight of 2780.21 g/mol. Its IUPAC name is 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide
PubChem CID159931889
Molecular FormulaC150H171Cl2FN42O8
Molecular Weight2780.21 g/mol
Exact Mass2777.36
IUPAC Name1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCC(C)Oc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C.CN(C)CCCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1Cl.CN(C)CCN(C)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1Cl.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C.Cc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C
InChIInChI=1S/C27H33N7O2.C25H28ClN7O.C25H29N7O2.C25H29N7O.C24H26ClN7O.C24H26FN7O/c1-18(2)36-24-16-19(10-11-23(24)33(5)15-14-32(3)4)30-27-29-13-12-25(31-27)34-17-21(26(28)35)20-8-6-7-9-22(20)34;1-31(2)13-6-14-32(3)22-10-9-17(15-20(22)26)29-25-28-12-11-23(30-25)33-16-19(24(27)34)18-7-4-5-8-21(18)33;1-30(2)13-14-31(3)21-10-9-17(15-22(21)34-4)28-25-27-12-11-23(29-25)32-16-19(24(26)33)18-7-5-6-8-20(18)32;1-17-15-18(9-10-21(17)31(4)14-13-30(2)3)28-25-27-12-11-23(29-25)32-16-20(24(26)33)19-7-5-6-8-22(19)32;1-30(2)12-13-31(3)21-9-8-16(14-19(21)25)28-24-27-11-10-22(29-24)32-15-18(23(26)33)17-6-4-5-7-20(17)32;1-30(2)12-13-31(3)17-10-8-16(9-11-17)28-24-27-14-20(25)23(29-24)32-15-19(22(26)33)18-6-4-5-7-21(18)32/h6-13,16-18H,14-15H2,1-5H3,(H2,28,35)(H,29,30,31);4-5,7-12,15-16H,6,13-14H2,1-3H3,(H2,27,34)(H,28,29,30);5-12,15-16H,13-14H2,1-4H3,(H2,26,33)(H,27,28,29);5-12,15-16H,13-14H2,1-4H3,(H2,26,33)(H,27,28,29);2*4-11,14-15H,12-13H2,1-3H3,(H2,26,33)(H,27,28,29)
InChIKeyNZTBTOUXAAYEAB-UHFFFAOYSA-N
XLogP22.51
TPSA572.32 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds52
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002780.21
LogP ≤ 522.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide with MolForge

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Related Compounds

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
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
N-benzyl-3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]benzamide;N-[(2-chlorophenyl)methyl]-3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-pyridin-3-ylbenzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 160111933
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[3-chloro-2-(trifluoromethyl)phenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-naphthalen-2-ylpyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(5-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 160557767
N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine
CID 157240613
1-[2-[3-[2-(Dimethylamino)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[(4-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-propanoylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-prop-2-enoylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(pyridin-2-ylamino)pyrimidin-4-yl]indole-3-carboxamide
CID 157354125
N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 157487048
1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 157578849
1-[5-Chloro-2-[4-methoxy-3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-chloro-2-[4-methyl-3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(2-methoxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-methoxy-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-methyl-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 157586567
1-(2-aminopyrimidin-4-yl)-N-phenylindole-5-carboxamide;4-[4-[(3-chloro-2-fluorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-(5-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-N-(2-phenylmethoxyphenyl)pyrimidine-2,4-diamine;dihydrochloride
CID 157623954
1-[2-[4-(Cyclohexylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-fluoro-2-methoxy-5-methylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(2-piperidin-1-ylethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-piperidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 157908575
N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;[4-(2,3-dihydro-1H-inden-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;[4-(1H-indol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;[4-(2-phenoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 158204389

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide (CID 159931889) is 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide is CC(C)Oc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C.CN(C)CCCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1Cl.CN(C)CCN(C)c1ccc(Nc2ncc(F)c(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1Cl.COc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C.Cc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N(C)CCN(C)C.
What is the InChIKey of 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide?
The InChIKey is NZTBTOUXAAYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2.C25H28ClN7O.C25H29N7O2.C25H29N7O.C24H26ClN7O.C24H26FN7O/c1-18(2)36-24-16-19(10-11-23(24)33(5)15-14-32(3)4)30-27-29-13-12-25(31-27)34-17-21(26(28)35)20-8-6-7-9-22(20)34;1-31(2)13-6-14-32(3)22-10-9-17(15-20(22)26)29-25-28-12-11-23(30-25)33-16-19(24(27)34)18-7-4-5-8-21(18)33;1-30(2)13-14-31(3)21-10-9-17(15-22(21)34-4)28-25-27-12-11-23(29-25)32-16-19(24(26)33)18-7-5-6-8-20(18)32;1-17-15-18(9-10-21(17)31(4)14-13-30(2)3)28-25-27-12-11-23(29-25)32-16-20(24(26)33)19-7-5-6-8-22(19)32;1-30(2)12-13-31(3)21-9-8-16(14-19(21)25)28-24-27-11-10-22(29-24)32-15-18(23(26)33)17-6-4-5-7-20(17)32;1-30(2)12-13-31(3)17-10-8-16(9-11-17)28-24-27-14-20(25)23(29-24)32-15-19(22(26)33)18-6-4-5-7-21(18)32/h6-13,16-18H,14-15H2,1-5H3,(H2,28,35)(H,29,30,31);4-5,7-12,15-16H,6,13-14H2,1-3H3,(H2,27,34)(H,28,29,30);5-12,15-16H,13-14H2,1-4H3,(H2,26,33)(H,27,28,29);5-12,15-16H,13-14H2,1-4H3,(H2,26,33)(H,27,28,29);2*4-11,14-15H,12-13H2,1-3H3,(H2,26,33)(H,27,28,29).
What are the key properties of 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide?
1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 2780.21 g/mol, XLogP of 22.51, 52 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methoxyanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylanilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-3-propan-2-yloxyanilino]pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 159931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).