6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C20H19FN6O5S — CID 142435672

About 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435672) has the molecular formula C20H19FN6O5S and a molecular weight of 474.47 g/mol. Its IUPAC name is 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435672
• Molecular Formula: C20H19FN6O5S
• Molecular Weight: 474.47 g/mol
• Exact Mass: 474.11
• IUPAC Name: 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: O=C(O)c1cn(-c2ncns2)c2nc(N3CC(=NOC[C@@H]4CCCCO4)C3)c(F)cc2c1=O
• InChI: InChI=1S/C20H19FN6O5S/c21-15-5-13-16(28)14(19(29)30)8-27(20-22-10-23-33-20)17(13)24-18(15)26-6-11(7-26)25-32-9-12-3-1-2-4-31-12/h5,8,10,12H,1-4,6-7,9H2,(H,29,30)/t12-/m0/s1
• InChIKey: NJQXOKDZAPRBQJ-LBPRGKRZSA-N
• XLogP: 1.84
• TPSA: 132.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.47
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435672) is 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(N3CC(=NOC[C@@H]4CCCCO4)C3)c(F)cc2c1=O.

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

The InChIKey is NJQXOKDZAPRBQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19FN6O5S/c21-15-5-13-16(28)14(19(29)30)8-27(20-22-10-23-33-20)17(13)24-18(15)26-6-11(7-26)25-32-9-12-3-1-2-4-31-12/h5,8,10,12H,1-4,6-7,9H2,(H,29,30)/t12-/m0/s1.

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

6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 474.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).