6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one

C123H79Cl6N29O7S2 — CID 158989441

IUPAC6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccn(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncsc3c2)n1.O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2[nH]1
InChIInChI=1S/C22H13ClN4O2.2C21H14ClN5O.C21H13ClN4OS.C19H13ClN6O.C19H12ClN5OS/c23-17-12-15(10-13-4-3-8-24-20(13)17)16-11-14-6-7-18(28)25-21(14)26-22(16)27-9-2-1-5-19(27)29;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;1-12-6-8-27(26-12)21-16(10-14-4-5-18(28)24-20(14)25-21)15-9-13-3-2-7-23-19(13)17(22)11-15;1-11-24-10-17(28-11)20-15(8-13-4-5-18(27)25-21(13)26-20)14-7-12-3-2-6-23-19(12)16(22)9-14;1-26-5-4-15(25-26)18-13(7-10-2-3-16(27)22-19(10)23-18)11-6-12-9-21-24-17(12)14(20)8-11;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/h1-12H,(H,25,26,28);2*2-11H,1H3,(H,24,25,28);2-10H,1H3,(H,25,26,27);2-9H,1H3,(H,21,24)(H,22,23,27);2-9H,1H3,(H,22,23,26)
InChIKeyJPZCUSWMZXLHBX-UHFFFAOYSA-N
MW2352.03 g/mol
LogP25.42
Rot. Bonds12

About 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one

6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one (PubChem CID 158989441) has the molecular formula C123H79Cl6N29O7S2 and a molecular weight of 2352.03 g/mol. Its IUPAC name is 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
PubChem CID158989441
Molecular FormulaC123H79Cl6N29O7S2
Molecular Weight2352.03 g/mol
Exact Mass2347.43
IUPAC Name6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccn(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncsc3c2)n1.O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2[nH]1
InChIInChI=1S/C22H13ClN4O2.2C21H14ClN5O.C21H13ClN4OS.C19H13ClN6O.C19H12ClN5OS/c23-17-12-15(10-13-4-3-8-24-20(13)17)16-11-14-6-7-18(28)25-21(14)26-22(16)27-9-2-1-5-19(27)29;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;1-12-6-8-27(26-12)21-16(10-14-4-5-18(28)24-20(14)25-21)15-9-13-3-2-7-23-19(13)17(22)11-15;1-11-24-10-17(28-11)20-15(8-13-4-5-18(27)25-21(13)26-20)14-7-12-3-2-6-23-19(12)16(22)9-14;1-26-5-4-15(25-26)18-13(7-10-2-3-16(27)22-19(10)23-18)11-6-12-9-21-24-17(12)14(20)8-11;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/h1-12H,(H,25,26,28);2*2-11H,1H3,(H,24,25,28);2-10H,1H3,(H,25,26,27);2-9H,1H3,(H,21,24)(H,22,23,27);2-9H,1H3,(H,22,23,26)
InChIKeyJPZCUSWMZXLHBX-UHFFFAOYSA-N
XLogP25.42
TPSA473.80 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002352.03
LogP ≤ 525.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one with MolForge

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Related Compounds

6-(7-chloro-1H-indazol-5-yl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-N-[(3-methylphenyl)methylsulfonyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide;6-(7-chloro-1H-indazol-5-yl)-N-[(6-methyl-2-pyridinyl)methylsulfinyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide;N-[3-(7-chloro-1H-indazol-5-yl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
CID 160888286
5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile
CID 157050454
6-[5-Amino-3-(4-fluorophenyl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;3-amino-5-(3-methylpyrrol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;5-(4-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(4-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;6-(3-methylpyrrol-1-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 157543386
3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 157973126
3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 158607587
N-[6-[4-amino-1-[(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(2-cyclobutyl-8-methyl-1-oxoisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(8-fluoro-1-oxo-2-propan-2-ylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 158964579
5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 159218172
1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 159248081
8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
CID 159407872
1-[4-[6-chloro-7-[2-(1H-pyrazol-4-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[2-(1,3-thiazol-5-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(6-chloro-7-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 159686041
6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)
CID 159888698
3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile;3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide;3-(benzylamino)-6-(4-chloronaphthalen-2-yl)-5-phenylpyrazine-2-carboxamide;N-[5-(4-chloro-1,3-benzothiazol-6-yl)-3-cyano-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]methanesulfonamide;N-[6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-2-oxo-1H-pyrazin-3-yl]methanesulfonamide
CID 159894729

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one (CID 158989441) is 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one is Cc1ccn(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncsc3c2)n1.O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2[nH]1.
What is the InChIKey of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is JPZCUSWMZXLHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN4O2.2C21H14ClN5O.C21H13ClN4OS.C19H13ClN6O.C19H12ClN5OS/c23-17-12-15(10-13-4-3-8-24-20(13)17)16-11-14-6-7-18(28)25-21(14)26-22(16)27-9-2-1-5-19(27)29;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;1-12-6-8-27(26-12)21-16(10-14-4-5-18(28)24-20(14)25-21)15-9-13-3-2-7-23-19(13)17(22)11-15;1-11-24-10-17(28-11)20-15(8-13-4-5-18(27)25-21(13)26-20)14-7-12-3-2-6-23-19(12)16(22)9-14;1-26-5-4-15(25-26)18-13(7-10-2-3-16(27)22-19(10)23-18)11-6-12-9-21-24-17(12)14(20)8-11;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/h1-12H,(H,25,26,28);2*2-11H,1H3,(H,24,25,28);2-10H,1H3,(H,25,26,27);2-9H,1H3,(H,21,24)(H,22,23,27);2-9H,1H3,(H,22,23,26).
What are the key properties of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 2352.03 g/mol, XLogP of 25.42, 12 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 158989441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).