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

C22H16FN5O5S — CID 161162903

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

6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 161162903) has the molecular formula C22H16FN5O5S and a molecular weight of 481.47 g/mol. Its IUPAC name is 6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 161162903
• Molecular Formula: C22H16FN5O5S
• Molecular Weight: 481.47 g/mol
• Exact Mass: 481.09
• IUPAC Name: 6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: O=C(O)c1cn(-c2nccs2)c2nc(N3CC(C(=O)Cc4ccc(O)cn4)C3)c(F)cc2c1=O
• InChI: InChI=1S/C22H16FN5O5S/c23-16-6-14-18(31)15(21(32)33)10-28(22-24-3-4-34-22)19(14)26-20(16)27-8-11(9-27)17(30)5-12-1-2-13(29)7-25-12/h1-4,6-7,10-11,29H,5,8-9H2,(H,32,33)
• InChIKey: UQDQHXFCHXRYOX-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 138.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.47
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 161162903) is 6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2nccs2)c2nc(N3CC(C(=O)Cc4ccc(O)cn4)C3)c(F)cc2c1=O.

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

The InChIKey is UQDQHXFCHXRYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O5S/c23-16-6-14-18(31)15(21(32)33)10-28(22-24-3-4-34-22)19(14)26-20(16)27-8-11(9-27)17(30)5-12-1-2-13(29)7-25-12/h1-4,6-7,10-11,29H,5,8-9H2,(H,32,33).

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

6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 481.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 161162903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).