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

C22H17FN6O5S — CID 142434589

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

1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434589) has the molecular formula C22H17FN6O5S and a molecular weight of 496.48 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434589
• Molecular Formula: C22H17FN6O5S
• Molecular Weight: 496.48 g/mol
• Exact Mass: 496.10
• IUPAC Name: 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: COc1ccc(NC(=O)C2CN(c3ccc4c(=O)c(C(=O)O)cn(-c5ncc(F)s5)c4n3)C2)nc1
• InChI: InChI=1S/C22H17FN6O5S/c1-34-12-2-4-16(24-6-12)26-20(31)11-8-28(9-11)17-5-3-13-18(30)14(21(32)33)10-29(19(13)27-17)22-25-7-15(23)35-22/h2-7,10-11H,8-9H2,1H3,(H,32,33)(H,24,26,31)
• InChIKey: WYEPGSSRVIUVQA-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 139.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.48
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 142434589) is 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is COc1ccc(NC(=O)C2CN(c3ccc4c(=O)c(C(=O)O)cn(-c5ncc(F)s5)c4n3)C2)nc1.

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

The InChIKey is WYEPGSSRVIUVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O5S/c1-34-12-2-4-16(24-6-12)26-20(31)11-8-28(9-11)17-5-3-13-18(30)14(21(32)33)10-29(19(13)27-17)22-25-7-15(23)35-22/h2-7,10-11H,8-9H2,1H3,(H,32,33)(H,24,26,31).

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

1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 496.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).