6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

C125H83Cl3F3N23O7S3 — CID 159642818

About 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 159642818) has the molecular formula C125H83Cl3F3N23O7S3 and a molecular weight of 2278.75 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
• PubChem CID: 159642818
• Molecular Formula: C125H83Cl3F3N23O7S3
• Molecular Weight: 2278.75 g/mol
• Exact Mass: 2275.50
• IUPAC Name: 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
• SMILES: Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(F)cc2)cc(C)n1.Cc1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3nc(C)sc3c2)cc1.Cc1nc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc2s1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncoc3c2)n1.O=c1ccc2cc(-c3cc(Cl)c4ncsc4c3)c(-c3ccc(F)cc3)nc2[nH]1
• InChI: InChI=1S/C23H16ClN3OS.C22H13ClFN3OS.C21H11ClFN3OS.C21H16FN3O.C19H14N6O.C19H13N5O2/c1-12-3-5-14(6-4-12)21-17(9-15-7-8-20(28)26-23(15)27-21)16-10-18(24)22-19(11-16)29-13(2)25-22;1-11-25-21-17(23)9-14(10-18(21)29-11)16-8-13-4-7-19(28)26-22(13)27-20(16)12-2-5-15(24)6-3-12;22-16-8-13(9-17-20(16)24-10-28-17)15-7-12-3-6-18(27)25-21(12)26-19(15)11-1-4-14(23)5-2-11;1-12-9-16(10-13(2)23-12)18-11-15-5-8-19(26)24-21(15)25-20(18)14-3-6-17(22)7-4-14;1-25-7-5-16(24-25)18-13(9-14-17(26)4-6-20-19(14)22-18)11-2-3-15-12(8-11)10-21-23-15;1-24-7-5-15(23-24)18-12(9-13-16(25)4-6-20-19(13)22-18)11-2-3-14-17(8-11)26-10-21-14/h3-11H,1-2H3,(H,26,27,28);2-10H,1H3,(H,26,27,28);1-10H,(H,25,26,27);3-11H,1-2H3,(H,24,25,26);2-10H,1H3,(H,21,23)(H,20,22,26);2-10H,1H3,(H,20,22,25)
• InChIKey: MQONAEBRANHGCE-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 416.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.75
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (CID 159642818) is 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(F)cc2)cc(C)n1.Cc1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3nc(C)sc3c2)cc1.Cc1nc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc2s1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]ncc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncoc3c2)n1.O=c1ccc2cc(-c3cc(Cl)c4ncsc4c3)c(-c3ccc(F)cc3)nc2[nH]1.

What is the InChIKey of 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?

The InChIKey is MQONAEBRANHGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3OS.C22H13ClFN3OS.C21H11ClFN3OS.C21H16FN3O.C19H14N6O.C19H13N5O2/c1-12-3-5-14(6-4-12)21-17(9-15-7-8-20(28)26-23(15)27-21)16-10-18(24)22-19(11-16)29-13(2)25-22;1-11-25-21-17(23)9-14(10-18(21)29-11)16-8-13-4-7-19(28)26-22(13)27-20(16)12-2-5-15(24)6-3-12;22-16-8-13(9-17-20(16)24-10-28-17)15-7-12-3-6-18(27)25-21(12)26-19(15)11-1-4-14(23)5-2-11;1-12-9-16(10-13(2)23-12)18-11-15-5-8-19(26)24-21(15)25-20(18)14-3-6-17(22)7-4-14;1-25-7-5-16(24-25)18-13(9-14-17(26)4-6-20-19(14)22-18)11-2-3-15-12(8-11)10-21-23-15;1-24-7-5-15(23-24)18-12(9-13-16(25)4-6-20-19(13)22-18)11-2-3-14-17(8-11)26-10-21-14/h3-11H,1-2H3,(H,26,27,28);2-10H,1H3,(H,26,27,28);1-10H,(H,25,26,27);3-11H,1-2H3,(H,24,25,26);2-10H,1H3,(H,21,23)(H,20,22,26);2-10H,1H3,(H,20,22,25).

What are the key properties of 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?

6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2278.75 g/mol, XLogP of 28.17, 12 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 159642818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).