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

C22H22FN5O5S — CID 158470502

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

6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 158470502) has the molecular formula C22H22FN5O5S and a molecular weight of 487.51 g/mol. Its IUPAC name is 6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]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-[3-(oxan-3-yl)propanoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 158470502
• Molecular Formula: C22H22FN5O5S
• Molecular Weight: 487.51 g/mol
• Exact Mass: 487.13
• IUPAC Name: 6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]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(C(=O)CCC4CCCOC4)C3)c(F)cc2c1=O
• InChI: InChI=1S/C22H22FN5O5S/c23-16-6-14-18(30)15(21(31)32)9-28(22-24-11-25-34-22)19(14)26-20(16)27-7-13(8-27)17(29)4-3-12-2-1-5-33-10-12/h6,9,11-13H,1-5,7-8,10H2,(H,31,32)
• InChIKey: HGHDBEIUMMKTNQ-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 127.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]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-[3-(oxan-3-yl)propanoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 158470502) is 6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]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-[3-(oxan-3-yl)propanoyl]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-[3-(oxan-3-yl)propanoyl]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(C(=O)CCC4CCCOC4)C3)c(F)cc2c1=O.

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

The InChIKey is HGHDBEIUMMKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O5S/c23-16-6-14-18(30)15(21(31)32)9-28(22-24-11-25-34-22)19(14)26-20(16)27-7-13(8-27)17(29)4-3-12-2-1-5-33-10-12/h6,9,11-13H,1-5,7-8,10H2,(H,31,32).

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

6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 487.51 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 158470502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).