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

C76H46Cl3N25O4S — CID 163985164

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

6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 163985164) has the molecular formula C76H46Cl3N25O4S and a molecular weight of 1511.80 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one
• PubChem CID: 163985164
• Molecular Formula: C76H46Cl3N25O4S
• Molecular Weight: 1511.80 g/mol
• Exact Mass: 1509.30
• IUPAC Name: 6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one
• SMILES: [C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(C)nc(Cl)c2)nc1C.[C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3[nH]ncc3c2)nc1C.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(C)nc(Cl)c2)c1.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)c1
• InChI: InChI=1S/C20H12ClN7O.C19H13ClN6O.C19H10N6OS.C18H11ClN6O/c1-10-16(22-2)9-28(27-10)20-13(7-14-17(29)3-4-23-19(14)25-20)11-5-12-8-24-26-18(12)15(21)6-11;1-10-6-12(7-17(20)23-10)13-8-14-16(27)4-5-22-18(14)24-19(13)26-9-15(21-3)11(2)25-26;1-20-12-8-23-25(9-12)19-13(7-14-16(26)4-5-21-18(14)24-19)11-2-3-15-17(6-11)27-10-22-15;1-10-5-11(6-16(19)23-10)13-7-14-15(26)3-4-21-17(14)24-18(13)25-9-12(20-2)8-22-25/h3-9H,1H3,(H,24,26)(H,23,25,29);4-9H,1-2H3,(H,22,24,27);2-10H,(H,21,24,26);3-9H,1H3,(H,21,24,26)
• InChIKey: TVQPCCOYBFAGIV-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 339.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.80
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one (CID 163985164) is 6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one.

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

The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one is [C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(C)nc(Cl)c2)nc1C.[C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3[nH]ncc3c2)nc1C.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(C)nc(Cl)c2)c1.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)c1.

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

The InChIKey is TVQPCCOYBFAGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN7O.C19H13ClN6O.C19H10N6OS.C18H11ClN6O/c1-10-16(22-2)9-28(27-10)20-13(7-14-17(29)3-4-23-19(14)25-20)11-5-12-8-24-26-18(12)15(21)6-11;1-10-6-12(7-17(20)23-10)13-8-14-16(27)4-5-22-18(14)24-19(13)26-9-15(21-3)11(2)25-26;1-20-12-8-23-25(9-12)19-13(7-14-16(26)4-5-21-18(14)24-19)11-2-3-15-17(6-11)27-10-22-15;1-10-5-11(6-16(19)23-10)13-7-14-15(26)3-4-21-17(14)24-18(13)25-9-12(20-2)8-22-25/h3-9H,1H3,(H,24,26)(H,23,25,29);4-9H,1-2H3,(H,22,24,27);2-10H,(H,21,24,26);3-9H,1H3,(H,21,24,26).

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

6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 1511.80 g/mol, XLogP of 15.78, 8 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 163985164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).