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

C22H16F2N6O4S — CID 142434698

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

6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434698) has the molecular formula C22H16F2N6O4S and a molecular weight of 498.47 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434698
• Molecular Formula: C22H16F2N6O4S
• Molecular Weight: 498.47 g/mol
• Exact Mass: 498.09
• IUPAC Name: 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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)NCc4ncccc4F)C3)c(F)cc2c1=O
• InChI: InChI=1S/C22H16F2N6O4S/c23-14-2-1-3-25-16(14)7-27-20(32)11-8-29(9-11)19-15(24)6-12-17(31)13(21(33)34)10-30(18(12)28-19)22-26-4-5-35-22/h1-6,10-11H,7-9H2,(H,27,32)(H,33,34)
• InChIKey: BNXFDWXPSLCJOR-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 130.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.47
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434698) is 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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)NCc4ncccc4F)C3)c(F)cc2c1=O.

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

The InChIKey is BNXFDWXPSLCJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O4S/c23-14-2-1-3-25-16(14)7-27-20(32)11-8-29(9-11)19-15(24)6-12-17(31)13(21(33)34)10-30(18(12)28-19)22-26-4-5-35-22/h1-6,10-11H,7-9H2,(H,27,32)(H,33,34).

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

6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 498.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).