6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one

C110H80Cl3N31O6S4 — CID 162128556

About 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one

6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 162128556) has the molecular formula C110H80Cl3N31O6S4 and a molecular weight of 2166.69 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one
• PubChem CID: 162128556
• Molecular Formula: C110H80Cl3N31O6S4
• Molecular Weight: 2166.69 g/mol
• Exact Mass: 2163.49
• IUPAC Name: 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one
• SMILES: Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)[nH]2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2cnc(C)[nH]2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ncc(C)[nH]2)cc(Cl)n1.Cc1nc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1C.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)s1
• InChI: InChI=1S/C19H15ClN4O.C19H14N6OS.2C18H14ClN5O.C18H12N6OS.C18H11N5OS2/c1-10-3-4-15(22-10)18-13(12-7-11(2)23-17(20)8-12)9-14-16(25)5-6-21-19(14)24-18;1-10-23-24-19(25(10)2)17-12(8-13-15(26)5-6-20-18(13)22-17)11-3-4-14-16(7-11)27-9-21-14;1-9-5-11(6-16(19)22-9)12-7-13-15(25)3-4-20-18(13)24-17(12)14-8-21-10(2)23-14;1-9-5-11(6-15(19)22-9)12-7-13-14(25)3-4-20-17(13)24-16(12)18-21-8-10(2)23-18;1-9-21-18(24-23-9)16-11(7-12-14(25)4-5-19-17(12)22-16)10-2-3-13-15(6-10)26-8-20-13;1-9-22-23-18(26-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)25-8-20-13/h3-9,22H,1-2H3,(H,21,24,25);3-9H,1-2H3,(H,20,22,26);2*3-8H,1-2H3,(H,21,23)(H,20,24,25);2-8H,1H3,(H,19,22,25)(H,21,23,24);2-8H,1H3,(H,19,21,24)
• InChIKey: ZIJBZTRGGKLYAX-UHFFFAOYSA-N
• XLogP: 22.17
• TPSA: 523.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.69
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

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-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one (CID 162128556) is 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)[nH]2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2cnc(C)[nH]2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ncc(C)[nH]2)cc(Cl)n1.Cc1nc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1C.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)s1.

What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one?

The InChIKey is ZIJBZTRGGKLYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O.C19H14N6OS.2C18H14ClN5O.C18H12N6OS.C18H11N5OS2/c1-10-3-4-15(22-10)18-13(12-7-11(2)23-17(20)8-12)9-14-16(25)5-6-21-19(14)24-18;1-10-23-24-19(25(10)2)17-12(8-13-15(26)5-6-20-18(13)22-17)11-3-4-14-16(7-11)27-9-21-14;1-9-5-11(6-16(19)22-9)12-7-13-15(25)3-4-20-18(13)24-17(12)14-8-21-10(2)23-14;1-9-5-11(6-15(19)22-9)12-7-13-14(25)3-4-20-17(13)24-16(12)18-21-8-10(2)23-18;1-9-21-18(24-23-9)16-11(7-12-14(25)4-5-19-17(12)22-16)10-2-3-13-15(6-10)26-8-20-13;1-9-22-23-18(26-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)25-8-20-13/h3-9,22H,1-2H3,(H,21,24,25);3-9H,1-2H3,(H,20,22,26);2*3-8H,1-2H3,(H,21,23)(H,20,24,25);2-8H,1H3,(H,19,22,25)(H,21,23,24);2-8H,1H3,(H,19,21,24).

What are the key properties of 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one?

6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2166.69 g/mol, XLogP of 22.17, 12 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 162128556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).