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

C24H23FN6O4S — CID 160506628

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

6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 160506628) has the molecular formula C24H23FN6O4S and a molecular weight of 510.55 g/mol. Its IUPAC name is 6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)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-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 160506628
• Molecular Formula: C24H23FN6O4S
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.15
• IUPAC Name: 6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCCn1nc(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)cc1C
• InChI: InChI=1S/C24H23FN6O4S/c1-3-5-31-13(2)7-15(28-31)8-19(32)14-10-29(11-14)22-18(25)9-16-20(33)17(23(34)35)12-30(21(16)27-22)24-26-4-6-36-24/h4,6-7,9,12,14H,3,5,8,10-11H2,1-2H3,(H,34,35)
• InChIKey: QSMNAXLZJSCLOS-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 123.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)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-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 160506628) is 6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)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-methyl-1-propylpyrazol-3-yl)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-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CCCn1nc(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)cc1C.

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

The InChIKey is QSMNAXLZJSCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O4S/c1-3-5-31-13(2)7-15(28-31)8-19(32)14-10-29(11-14)22-18(25)9-16-20(33)17(23(34)35)12-30(21(16)27-22)24-26-4-6-36-24/h4,6-7,9,12,14H,3,5,8,10-11H2,1-2H3,(H,34,35).

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

6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 510.55 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 160506628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).