7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C23H19FN6O6S — CID 158197888

About 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 158197888) has the molecular formula C23H19FN6O6S and a molecular weight of 526.51 g/mol. Its IUPAC name is 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 158197888
• Molecular Formula: C23H19FN6O6S
• Molecular Weight: 526.51 g/mol
• Exact Mass: 526.11
• IUPAC Name: 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: COc1ccc(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1OC
• InChI: InChI=1S/C23H19FN6O6S/c1-35-17-4-3-12(27-21(17)36-2)5-16(31)11-7-29(8-11)20-15(24)6-13-18(32)14(22(33)34)9-30(19(13)28-20)23-25-10-26-37-23/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,33,34)
• InChIKey: GAOGDTZBFDAKCN-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 149.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.51
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 158197888) is 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is COc1ccc(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1OC.

What is the InChIKey of 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is GAOGDTZBFDAKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O6S/c1-35-17-4-3-12(27-21(17)36-2)5-16(31)11-7-29(8-11)20-15(24)6-13-18(32)14(22(33)34)9-30(19(13)28-20)23-25-10-26-37-23/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,33,34).

What are the key properties of 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 526.51 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 158197888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).