1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide

C148H152N38O10 — CID 158532513

IUPAC1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCC(=O)N1CCN(Cc2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(CCOc2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.COc1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.NC(=O)c1cn(-c2ccnc(Nc3ccc(CCCN4CCCC4)cc3)n2)c2ccccc12.NC(=O)c1cn(-c2ccnc(Nc3ccc(CN4CCCCC4)cc3)n2)c2ccccc12
InChIInChI=1S/C26H27N7O2.C26H29N7O2.C26H28N6O.C25H25N7O2.C25H26N6O.C20H17N5O2/c1-18(34)32-14-12-31(13-15-32)16-19-6-8-20(9-7-19)29-26-28-11-10-24(30-26)33-17-22(25(27)35)21-4-2-3-5-23(21)33;1-31-12-14-32(15-13-31)16-17-35-20-8-6-19(7-9-20)29-26-28-11-10-24(30-26)33-18-22(25(27)34)21-4-2-3-5-23(21)33;27-25(33)22-18-32(23-8-2-1-7-21(22)23)24-13-14-28-26(30-24)29-20-11-9-19(10-12-20)6-5-17-31-15-3-4-16-31;1-30-12-14-31(15-13-30)24(34)17-6-8-18(9-7-17)28-25-27-11-10-22(29-25)32-16-20(23(26)33)19-4-2-3-5-21(19)32;26-24(32)21-17-31(22-7-3-2-6-20(21)22)23-12-13-27-25(29-23)28-19-10-8-18(9-11-19)16-30-14-4-1-5-15-30;1-27-14-8-6-13(7-9-14)23-20-22-11-10-18(24-20)25-12-16(19(21)26)15-4-2-3-5-17(15)25/h2-11,17H,12-16H2,1H3,(H2,27,35)(H,28,29,30);2-11,18H,12-17H2,1H3,(H2,27,34)(H,28,29,30);1-2,7-14,18H,3-6,15-17H2,(H2,27,33)(H,28,29,30);2-11,16H,12-15H2,1H3,(H2,26,33)(H,27,28,29);2-3,6-13,17H,1,4-5,14-16H2,(H2,26,32)(H,27,28,29);2-12H,1H3,(H2,21,26)(H,22,23,24)
InChIKeyHNNSACCGBNDVDK-UHFFFAOYSA-N
MW2623.10 g/mol
LogP20.28
Rot. Bonds38

About 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide

1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 158532513) has the molecular formula C148H152N38O10 and a molecular weight of 2623.10 g/mol. Its IUPAC name is 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide
PubChem CID158532513
Molecular FormulaC148H152N38O10
Molecular Weight2623.10 g/mol
Exact Mass2621.26
IUPAC Name1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide
SMILESCC(=O)N1CCN(Cc2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(CCOc2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.COc1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.NC(=O)c1cn(-c2ccnc(Nc3ccc(CCCN4CCCC4)cc3)n2)c2ccccc12.NC(=O)c1cn(-c2ccnc(Nc3ccc(CN4CCCCC4)cc3)n2)c2ccccc12
InChIInChI=1S/C26H27N7O2.C26H29N7O2.C26H28N6O.C25H25N7O2.C25H26N6O.C20H17N5O2/c1-18(34)32-14-12-31(13-15-32)16-19-6-8-20(9-7-19)29-26-28-11-10-24(30-26)33-17-22(25(27)35)21-4-2-3-5-23(21)33;1-31-12-14-32(15-13-31)16-17-35-20-8-6-19(7-9-20)29-26-28-11-10-24(30-26)33-18-22(25(27)34)21-4-2-3-5-23(21)33;27-25(33)22-18-32(23-8-2-1-7-21(22)23)24-13-14-28-26(30-24)29-20-11-9-19(10-12-20)6-5-17-31-15-3-4-16-31;1-30-12-14-31(15-13-30)24(34)17-6-8-18(9-7-17)28-25-27-11-10-22(29-25)32-16-20(23(26)33)19-4-2-3-5-21(19)32;26-24(32)21-17-31(22-7-3-2-6-20(21)22)23-12-13-27-25(29-23)28-19-10-8-18(9-11-19)16-30-14-4-1-5-15-30;1-27-14-8-6-13(7-9-14)23-20-22-11-10-18(24-20)25-12-16(19(21)26)15-4-2-3-5-17(15)25/h2-11,17H,12-16H2,1H3,(H2,27,35)(H,28,29,30);2-11,18H,12-17H2,1H3,(H2,27,34)(H,28,29,30);1-2,7-14,18H,3-6,15-17H2,(H2,27,33)(H,28,29,30);2-11,16H,12-15H2,1H3,(H2,26,33)(H,27,28,29);2-3,6-13,17H,1,4-5,14-16H2,(H2,26,32)(H,27,28,29);2-12H,1H3,(H2,21,26)(H,22,23,24)
InChIKeyHNNSACCGBNDVDK-UHFFFAOYSA-N
XLogP20.28
TPSA593.50 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002623.10
LogP ≤ 520.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide with MolForge

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Related Compounds

US10994015, Example 301
CID 135205142
[4-[2-[2-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethoxy]ethyl]piperazin-1-yl]-[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanone
CID 123729759
(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177
6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157098816
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
5-(6-ethyl-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157135157
N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methylindole-5-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile;6-(5-methoxy-1-methylindol-3-yl)-4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157204082
6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 157205967
N-[4-(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]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 157322814
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157433635
5-(4-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157464326
6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;bis(6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);5-(6-methyl-3-pyridinyl)-6-[(3S)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157559023

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide (CID 158532513) is 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide is CC(=O)N1CCN(Cc2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN1CCN(CCOc2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.COc1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.NC(=O)c1cn(-c2ccnc(Nc3ccc(CCCN4CCCC4)cc3)n2)c2ccccc12.NC(=O)c1cn(-c2ccnc(Nc3ccc(CN4CCCCC4)cc3)n2)c2ccccc12.
What is the InChIKey of 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
The InChIKey is HNNSACCGBNDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.C26H29N7O2.C26H28N6O.C25H25N7O2.C25H26N6O.C20H17N5O2/c1-18(34)32-14-12-31(13-15-32)16-19-6-8-20(9-7-19)29-26-28-11-10-24(30-26)33-17-22(25(27)35)21-4-2-3-5-23(21)33;1-31-12-14-32(15-13-31)16-17-35-20-8-6-19(7-9-20)29-26-28-11-10-24(30-26)33-18-22(25(27)34)21-4-2-3-5-23(21)33;27-25(33)22-18-32(23-8-2-1-7-21(22)23)24-13-14-28-26(30-24)29-20-11-9-19(10-12-20)6-5-17-31-15-3-4-16-31;1-30-12-14-31(15-13-30)24(34)17-6-8-18(9-7-17)28-25-27-11-10-22(29-25)32-16-20(23(26)33)19-4-2-3-5-21(19)32;26-24(32)21-17-31(22-7-3-2-6-20(21)22)23-12-13-27-25(29-23)28-19-10-8-18(9-11-19)16-30-14-4-1-5-15-30;1-27-14-8-6-13(7-9-14)23-20-22-11-10-18(24-20)25-12-16(19(21)26)15-4-2-3-5-17(15)25/h2-11,17H,12-16H2,1H3,(H2,27,35)(H,28,29,30);2-11,18H,12-17H2,1H3,(H2,27,34)(H,28,29,30);1-2,7-14,18H,3-6,15-17H2,(H2,27,33)(H,28,29,30);2-11,16H,12-15H2,1H3,(H2,26,33)(H,27,28,29);2-3,6-13,17H,1,4-5,14-16H2,(H2,26,32)(H,27,28,29);2-12H,1H3,(H2,21,26)(H,22,23,24).
What are the key properties of 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide?
1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 2623.10 g/mol, XLogP of 20.28, 38 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 158532513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).