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

C23H18FN5O5S — CID 159104114

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

6-fluoro-7-[3-[2-(5-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 159104114) has the molecular formula C23H18FN5O5S and a molecular weight of 495.49 g/mol. Its IUPAC name is 6-fluoro-7-[3-[2-(5-methoxy-2-pyridinyl)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-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 159104114
• Molecular Formula: C23H18FN5O5S
• Molecular Weight: 495.49 g/mol
• Exact Mass: 495.10
• IUPAC Name: 6-fluoro-7-[3-[2-(5-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: COc1ccc(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)nc1
• InChI: InChI=1S/C23H18FN5O5S/c1-34-14-3-2-13(26-8-14)6-18(30)12-9-28(10-12)21-17(24)7-15-19(31)16(22(32)33)11-29(20(15)27-21)23-25-4-5-35-23/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,32,33)
• InChIKey: KDQSVVGRFHIQLS-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 127.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.49
LogP ≤ 5	2.33
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-methoxy-2-pyridinyl)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-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 159104114) is 6-fluoro-7-[3-[2-(5-methoxy-2-pyridinyl)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-methoxy-2-pyridinyl)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-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is COc1ccc(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)nc1.

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

The InChIKey is KDQSVVGRFHIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O5S/c1-34-14-3-2-13(26-8-14)6-18(30)12-9-28(10-12)21-17(24)7-15-19(31)16(22(32)33)11-29(20(15)27-21)23-25-4-5-35-23/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,32,33).

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

6-fluoro-7-[3-[2-(5-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 495.49 g/mol, XLogP of 2.33, 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-[2-(5-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 159104114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).