N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C111H115FN38O8 — CID 158215123

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccc(F)cc3C2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccncc3C2)n1
InChIInChI=1S/C24H27N7O4.C22H22FN7O.2C22H22N8O.C21H22N8O/c1-34-20-9-15-13-31(14-16(15)10-21(20)35-2)24-28-17(11-22(32)29-24)23(33)27-18-12-26-4-3-19(18)30-7-5-25-6-8-30;23-17-2-1-15-13-30(14-16(15)11-17)22-26-6-3-18(28-22)21(31)27-19-12-25-5-4-20(19)29-9-7-24-8-10-29;2*23-16-5-3-11-29(14-16)20-8-9-24-13-18(20)27-21(31)17-7-10-25-22(28-17)30-19-6-2-1-4-15(19)12-26-30;30-20(26-18-12-24-5-3-19(18)28-9-7-22-8-10-28)17-2-6-25-21(27-17)29-13-15-1-4-23-11-16(15)14-29/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);1-6,11-12,24H,7-10,13-14H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31);1-6,11-12,22H,7-10,13-14H2,(H,26,30)/t;;2*16-;/m..10./s1
InChIKeyGCOBXAUYIWCOHE-ILXICOIMSA-N
MW2128.40 g/mol
LogP9.79
Rot. Bonds22

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 158215123) has the molecular formula C111H115FN38O8 and a molecular weight of 2128.40 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID158215123
Molecular FormulaC111H115FN38O8
Molecular Weight2128.40 g/mol
Exact Mass2126.97
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccc(F)cc3C2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccncc3C2)n1
InChIInChI=1S/C24H27N7O4.C22H22FN7O.2C22H22N8O.C21H22N8O/c1-34-20-9-15-13-31(14-16(15)10-21(20)35-2)24-28-17(11-22(32)29-24)23(33)27-18-12-26-4-3-19(18)30-7-5-25-6-8-30;23-17-2-1-15-13-30(14-16(15)11-17)22-26-6-3-18(28-22)21(31)27-19-12-25-5-4-20(19)29-9-7-24-8-10-29;2*23-16-5-3-11-29(14-16)20-8-9-24-13-18(20)27-21(31)17-7-10-25-22(28-17)30-19-6-2-1-4-15(19)12-26-30;30-20(26-18-12-24-5-3-19(18)28-9-7-22-8-10-28)17-2-6-25-21(27-17)29-13-15-1-4-23-11-16(15)14-29/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);1-6,11-12,24H,7-10,13-14H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31);1-6,11-12,22H,7-10,13-14H2,(H,26,30)/t;;2*16-;/m..10./s1
InChIKeyGCOBXAUYIWCOHE-ILXICOIMSA-N
XLogP9.79
TPSA539.86 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds22
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002128.40
LogP ≤ 59.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 157547039
2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 157606880
(5R)-5-[4-(2,3-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazolidine-2,4-dione
CID 158936226
4-(4-benzylpiperazin-1-yl)-2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-3H-isoindol-1-one;4-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-4-piperazin-1-yl-3H-isoindol-1-one
CID 159067542
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopentyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 159684710
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]imidazolidine-2,4-dione
CID 160346431
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[(4-methylpyrimidin-2-yl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutyl]-4-piperazin-1-yl-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one
CID 161110360
2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 161643516
N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(cyclopropylmethyl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-phenacylbenzamide
CID 161659600
1H-benzimidazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluoro-4-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[3-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,6-naphthyridin-2-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
CID 161678642
5-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;N-methyl-1-[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methanimine oxide
CID 161866349

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 158215123) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccc(F)cc3C2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccncc3C2)n1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is GCOBXAUYIWCOHE-ILXICOIMSA-N. The full InChI is InChI=1S/C24H27N7O4.C22H22FN7O.2C22H22N8O.C21H22N8O/c1-34-20-9-15-13-31(14-16(15)10-21(20)35-2)24-28-17(11-22(32)29-24)23(33)27-18-12-26-4-3-19(18)30-7-5-25-6-8-30;23-17-2-1-15-13-30(14-16(15)11-17)22-26-6-3-18(28-22)21(31)27-19-12-25-5-4-20(19)29-9-7-24-8-10-29;2*23-16-5-3-11-29(14-16)20-8-9-24-13-18(20)27-21(31)17-7-10-25-22(28-17)30-19-6-2-1-4-15(19)12-26-30;30-20(26-18-12-24-5-3-19(18)28-9-7-22-8-10-28)17-2-6-25-21(27-17)29-13-15-1-4-23-11-16(15)14-29/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);1-6,11-12,24H,7-10,13-14H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31);1-6,11-12,22H,7-10,13-14H2,(H,26,30)/t;;2*16-;/m..10./s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 2128.40 g/mol, XLogP of 9.79, 22 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158215123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).