6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid

C19H20FN5O4S — CID 146344901

About 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid

6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146344901) has the molecular formula C19H20FN5O4S and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146344901
• Molecular Formula: C19H20FN5O4S
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.12
• IUPAC Name: 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCCCC(=O)C1CN(c2nc3c(cc2F)C(=O)C(C(=O)O)CN3c2ncns2)C1
• InChI: InChI=1S/C19H20FN5O4S/c1-2-3-4-14(26)10-6-24(7-10)17-13(20)5-11-15(27)12(18(28)29)8-25(16(11)23-17)19-21-9-22-30-19/h5,9-10,12H,2-4,6-8H2,1H3,(H,28,29)
• InChIKey: FHZQPCUAYYFCMU-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 116.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (CID 146344901) is 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is CCCCC(=O)C1CN(c2nc3c(cc2F)C(=O)C(C(=O)O)CN3c2ncns2)C1.

What is the InChIKey of 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is FHZQPCUAYYFCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4S/c1-2-3-4-14(26)10-6-24(7-10)17-13(20)5-11-15(27)12(18(28)29)8-25(16(11)23-17)19-21-9-22-30-19/h5,9-10,12H,2-4,6-8H2,1H3,(H,28,29).

What are the key properties of 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 433.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146344901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).