6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one

C114H95Cl2N29O9S — CID 159347191

About 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one

6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one (PubChem CID 159347191) has the molecular formula C114H95Cl2N29O9S and a molecular weight of 2118.18 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one
• PubChem CID: 159347191
• Molecular Formula: C114H95Cl2N29O9S
• Molecular Weight: 2118.18 g/mol
• Exact Mass: 2115.70
• IUPAC Name: 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one
• SMILES: CC(C)n1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(Cl)c1=O.CC(C)n1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)ccc1=O.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(C)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(Cl)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2C2=CCC(=O)C=C2)n1
• InChI: InChI=1S/C20H18ClN5O2.C20H19N5O2.C19H13N5OS.C19H17N5O.C18H14ClN5O.C18H14N4O2/c1-11(2)26-10-12(8-15(21)20(26)28)13-9-14-17(27)4-6-22-19(14)23-18(13)16-5-7-25(3)24-16;1-12(2)25-11-13(4-5-18(25)27)14-10-15-17(26)6-8-21-20(15)22-19(14)16-7-9-24(3)23-16;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;1-11-8-13(9-12(2)21-11)14-10-15-17(25)4-6-20-19(15)22-18(14)16-5-7-24(3)23-16;1-10-7-11(8-16(19)21-10)12-9-13-15(25)3-5-20-18(13)22-17(12)14-4-6-24(2)23-14;1-22-9-7-15(21-22)17-13(11-2-4-12(23)5-3-11)10-14-16(24)6-8-19-18(14)20-17/h4-11H,1-3H3,(H,22,23,27);4-12H,1-3H3,(H,21,22,26);2-10H,1H3,(H,20,22,25);4-10H,1-3H3,(H,20,22,25);3-9H,1-2H3,(H,20,22,25);2-4,6-10H,5H2,1H3,(H,19,20,24)
• InChIKey: LGWIFNNJJNTDTQ-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 481.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.18
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one (CID 159347191) is 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one is CC(C)n1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(Cl)c1=O.CC(C)n1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)ccc1=O.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(C)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(Cl)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2C2=CCC(=O)C=C2)n1.

What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one?

The InChIKey is LGWIFNNJJNTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2.C20H19N5O2.C19H13N5OS.C19H17N5O.C18H14ClN5O.C18H14N4O2/c1-11(2)26-10-12(8-15(21)20(26)28)13-9-14-17(27)4-6-22-19(14)23-18(13)16-5-7-25(3)24-16;1-12(2)25-11-13(4-5-18(25)27)14-10-15-17(26)6-8-21-20(15)22-19(14)16-7-9-24(3)23-16;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;1-11-8-13(9-12(2)21-11)14-10-15-17(25)4-6-20-19(15)22-18(14)16-5-7-24(3)23-16;1-10-7-11(8-16(19)21-10)12-9-13-15(25)3-5-20-18(13)22-17(12)14-4-6-24(2)23-14;1-22-9-7-15(21-22)17-13(11-2-4-12(23)5-3-11)10-14-16(24)6-8-19-18(14)20-17/h4-11H,1-3H3,(H,22,23,27);4-12H,1-3H3,(H,21,22,26);2-10H,1H3,(H,20,22,25);4-10H,1-3H3,(H,20,22,25);3-9H,1-2H3,(H,20,22,25);2-4,6-10H,5H2,1H3,(H,19,20,24).

What are the key properties of 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one?

6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2118.18 g/mol, XLogP of 18.31, 14 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(4-oxocyclohexa-1,5-dien-1-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 159347191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).