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

C123H85Cl2F2N31O9 — CID 160977989

IUPAC6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccnc2c(F)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(F)c3ncccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3[nH]c(=O)ccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3c(=O)[nH]ccc3c2)n1
InChIInChI=1S/C22H16FN5O.C21H14FN5O.2C21H15N5O2.C19H13ClN6O.C19H12ClN5O2/c1-12-5-7-24-20-15(12)10-14(11-17(20)23)16-9-13-3-4-19(29)25-22(13)26-21(16)18-6-8-28(2)27-18;1-27-8-6-17(26-27)20-15(10-13-4-5-18(28)24-21(13)25-20)14-9-12-3-2-7-23-19(12)16(22)11-14;1-26-9-8-17(25-26)20-15(11-14-4-7-19(28)23-21(14)24-20)12-2-5-16-13(10-12)3-6-18(27)22-16;1-26-9-7-17(25-26)19-16(11-14-3-5-18(27)23-20(14)24-19)12-2-4-15-13(10-12)6-8-22-21(15)28;1-26-5-4-14(25-26)17-12(6-10-2-3-16(27)23-19(10)24-17)11-7-13(20)18-15(8-11)21-9-22-18;1-25-5-4-14(24-25)17-12(6-10-2-3-16(26)22-19(10)23-17)11-7-13(20)18-15(8-11)27-9-21-18/h3-11H,1-2H3,(H,25,26,29);2-11H,1H3,(H,24,25,28);2-11H,1H3,(H,22,27)(H,23,24,28);2-11H,1H3,(H,22,28)(H,23,24,27);2-9H,1H3,(H,21,22)(H,23,24,27);2-9H,1H3,(H,22,23,26)
InChIKeySZCZTEOJOKAIAP-UHFFFAOYSA-N
MW2250.14 g/mol
LogP20.63
Rot. Bonds12

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

6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 160977989) has the molecular formula C123H85Cl2F2N31O9 and a molecular weight of 2250.14 g/mol. Its IUPAC name is 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one
PubChem CID160977989
Molecular FormulaC123H85Cl2F2N31O9
Molecular Weight2250.14 g/mol
Exact Mass2247.65
IUPAC Name6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccnc2c(F)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(F)c3ncccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3[nH]c(=O)ccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3c(=O)[nH]ccc3c2)n1
InChIInChI=1S/C22H16FN5O.C21H14FN5O.2C21H15N5O2.C19H13ClN6O.C19H12ClN5O2/c1-12-5-7-24-20-15(12)10-14(11-17(20)23)16-9-13-3-4-19(29)25-22(13)26-21(16)18-6-8-28(2)27-18;1-27-8-6-17(26-27)20-15(10-13-4-5-18(28)24-21(13)25-20)14-9-12-3-2-7-23-19(12)16(22)11-14;1-26-9-8-17(25-26)20-15(11-14-4-7-19(28)23-21(14)24-20)12-2-5-16-13(10-12)3-6-18(27)22-16;1-26-9-7-17(25-26)19-16(11-14-3-5-18(27)23-20(14)24-19)12-2-4-15-13(10-12)6-8-22-21(15)28;1-26-5-4-14(25-26)17-12(6-10-2-3-16(27)23-19(10)24-17)11-7-13(20)18-15(8-11)21-9-22-18;1-25-5-4-14(24-25)17-12(6-10-2-3-16(26)22-19(10)23-17)11-7-13(20)18-15(8-11)27-9-21-18/h3-11H,1-2H3,(H,25,26,29);2-11H,1H3,(H,24,25,28);2-11H,1H3,(H,22,27)(H,23,24,28);2-11H,1H3,(H,22,28)(H,23,24,27);2-9H,1H3,(H,21,22)(H,23,24,27);2-9H,1H3,(H,22,23,26)
InChIKeySZCZTEOJOKAIAP-UHFFFAOYSA-N
XLogP20.63
TPSA527.63 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002250.14
LogP ≤ 520.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

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

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Related Compounds

1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone
CID 159760546
4-chloro-6-propan-2-yl-1H-benzimidazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 158028857
3-chloro-N,N-dimethyl-4-[[4-(methylamino)-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;[3-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 158110185
N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(2-methyl-1,3-benzoxazol-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[1-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1-methylindazol-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 158362822
5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine;methane
CID 158442643
3-amino-6-(1,3-benzoxazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-(aminomethyl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-[5-amino-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2H-isoquinolin-1-one;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrrol-1-yl)pyrazin-2-amine
CID 158445831
[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-(ethyliminomethyl)-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]aniline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzoxazole;6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzoxazole;sulfane
CID 158551869
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 158728941
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[5-(2-fluoro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;3-methoxy-4-[[4-methoxy-5-(1-methyl-3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide;3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(1-methylcyclobutyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide
CID 158733325
3-chloro-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-(1,4-dimethylindazol-5-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[5-(2-fluoro-6-methyl-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide
CID 158762008
3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 158927815

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-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one (CID 160977989) is 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one is Cc1ccnc2c(F)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(F)c3ncccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3[nH]c(=O)ccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-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-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is SZCZTEOJOKAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O.C21H14FN5O.2C21H15N5O2.C19H13ClN6O.C19H12ClN5O2/c1-12-5-7-24-20-15(12)10-14(11-17(20)23)16-9-13-3-4-19(29)25-22(13)26-21(16)18-6-8-28(2)27-18;1-27-8-6-17(26-27)20-15(10-13-4-5-18(28)24-21(13)25-20)14-9-12-3-2-7-23-19(12)16(22)11-14;1-26-9-8-17(25-26)20-15(11-14-4-7-19(28)23-21(14)24-20)12-2-5-16-13(10-12)3-6-18(27)22-16;1-26-9-7-17(25-26)19-16(11-14-3-5-18(27)23-20(14)24-19)12-2-4-15-13(10-12)6-8-22-21(15)28;1-26-5-4-14(25-26)17-12(6-10-2-3-16(27)23-19(10)24-17)11-7-13(20)18-15(8-11)21-9-22-18;1-25-5-4-14(24-25)17-12(6-10-2-3-16(26)22-19(10)23-17)11-7-13(20)18-15(8-11)27-9-21-18/h3-11H,1-2H3,(H,25,26,29);2-11H,1H3,(H,24,25,28);2-11H,1H3,(H,22,27)(H,23,24,28);2-11H,1H3,(H,22,28)(H,23,24,27);2-9H,1H3,(H,21,22)(H,23,24,27);2-9H,1H3,(H,22,23,26).
What are the key properties of 6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one?
6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 2250.14 g/mol, XLogP of 20.63, 12 rotatable bonds, 9 hydrogen bond donors, and 31 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-2-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 160977989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).