6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one

C118H80Cl4N32O9S — CID 159436114

IUPAC6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]c(=O)ccc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3c(=O)[nH]ccc3c2)n1
InChIInChI=1S/2C21H15N5O2.2C19H13ClN6O.C19H12ClN5O2.C19H12ClN5OS/c1-26-9-7-17(25-26)20-14(11-15-18(27)6-8-22-21(15)24-20)12-2-4-16-13(10-12)3-5-19(28)23-16;1-26-9-6-17(25-26)19-15(11-16-18(27)5-8-22-20(16)24-19)12-2-3-14-13(10-12)4-7-23-21(14)28;1-26-5-3-14(25-26)17-11(8-12-16(27)2-4-21-19(12)24-17)10-6-13(20)18-15(7-10)22-9-23-18;1-26-5-3-15(25-26)18-12(8-13-16(27)2-4-21-19(13)23-18)10-6-11-9-22-24-17(11)14(20)7-10;2*1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18/h2*2-11H,1H3,(H,23,28)(H,22,24,27);2-9H,1H3,(H,22,23)(H,21,24,27);2-9H,1H3,(H,22,24)(H,21,23,27);2*2-9H,1H3,(H,21,23,26)
InChIKeyLRPDQAHMBXORQU-UHFFFAOYSA-N
MW2264.03 g/mol
LogP20.74
Rot. Bonds12

About 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one

6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 159436114) has the molecular formula C118H80Cl4N32O9S and a molecular weight of 2264.03 g/mol. Its IUPAC name is 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one
PubChem CID159436114
Molecular FormulaC118H80Cl4N32O9S
Molecular Weight2264.03 g/mol
Exact Mass2260.53
IUPAC Name6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]c(=O)ccc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3c(=O)[nH]ccc3c2)n1
InChIInChI=1S/2C21H15N5O2.2C19H13ClN6O.C19H12ClN5O2.C19H12ClN5OS/c1-26-9-7-17(25-26)20-14(11-15-18(27)6-8-22-21(15)24-20)12-2-4-16-13(10-12)3-5-19(28)23-16;1-26-9-6-17(25-26)19-15(11-16-18(27)5-8-22-20(16)24-19)12-2-3-14-13(10-12)4-7-23-21(14)28;1-26-5-3-14(25-26)17-11(8-12-16(27)2-4-21-19(12)24-17)10-6-13(20)18-15(7-10)22-9-23-18;1-26-5-3-15(25-26)18-12(8-13-16(27)2-4-21-19(13)23-18)10-6-11-9-22-24-17(11)14(20)7-10;2*1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18/h2*2-11H,1H3,(H,23,28)(H,22,24,27);2-9H,1H3,(H,22,23)(H,21,24,27);2-9H,1H3,(H,22,24)(H,21,23,27);2*2-9H,1H3,(H,21,23,26)
InChIKeyLRPDQAHMBXORQU-UHFFFAOYSA-N
XLogP20.74
TPSA543.42 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002264.03
LogP ≤ 520.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one with MolForge

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Related Compounds

6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 157085973
1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide
CID 157049985
6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;6-methyl-7H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-isoindole;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157094208
6-(1,3-benzoxazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzoxazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
CID 157220260
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;8-chloro-6-propan-2-ylquinoline;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
CID 157265856
3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene
CID 157266785
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[3,2-d]pyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157323746
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;6-tert-butyl-4-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-4-methylcyclohexa-2,4-dien-1-one;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine
CID 157348655
1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 157426407
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157446652
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline
CID 157450097
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1,5-di(propan-2-yl)-1,2,4-triazol-3-amine;1,5-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-(1-methoxypropan-2-yl)-3-propan-2-yl-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157568311

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one (CID 159436114) is 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one is Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]c(=O)ccc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3c(=O)[nH]ccc3c2)n1.
What is the InChIKey of 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is LRPDQAHMBXORQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15N5O2.2C19H13ClN6O.C19H12ClN5O2.C19H12ClN5OS/c1-26-9-7-17(25-26)20-14(11-15-18(27)6-8-22-21(15)24-20)12-2-4-16-13(10-12)3-5-19(28)23-16;1-26-9-6-17(25-26)19-15(11-16-18(27)5-8-22-20(16)24-19)12-2-3-14-13(10-12)4-7-23-21(14)28;1-26-5-3-14(25-26)17-11(8-12-16(27)2-4-21-19(12)24-17)10-6-13(20)18-15(7-10)22-9-23-18;1-26-5-3-15(25-26)18-12(8-13-16(27)2-4-21-19(13)23-18)10-6-11-9-22-24-17(11)14(20)7-10;2*1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18/h2*2-11H,1H3,(H,23,28)(H,22,24,27);2-9H,1H3,(H,22,23)(H,21,24,27);2-9H,1H3,(H,22,24)(H,21,23,27);2*2-9H,1H3,(H,21,23,26).
What are the key properties of 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one?
6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2264.03 g/mol, XLogP of 20.74, 12 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 159436114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).