6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C23H24FN5O5S — CID 142435213

About 6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435213) has the molecular formula C23H24FN5O5S and a molecular weight of 501.54 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]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-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435213
• Molecular Formula: C23H24FN5O5S
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.15
• IUPAC Name: 6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CC1(CNC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)CCCCO1
• InChI: InChI=1S/C23H24FN5O5S/c1-23(4-2-3-6-34-23)12-26-20(31)13-9-28(10-13)19-16(24)8-14-17(30)15(21(32)33)11-29(18(14)27-19)22-25-5-7-35-22/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3,(H,26,31)(H,32,33)
• InChIKey: HFKYFCCYSCMVHX-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 126.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]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-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435213) is 6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]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-methyloxan-2-yl)methylcarbamoyl]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-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CC1(CNC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)CCCCO1.

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

The InChIKey is HFKYFCCYSCMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O5S/c1-23(4-2-3-6-34-23)12-26-20(31)13-9-28(10-13)19-16(24)8-14-17(30)15(21(32)33)11-29(18(14)27-19)22-25-5-7-35-22/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3,(H,26,31)(H,32,33).

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

6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 501.54 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[(2-methyloxan-2-yl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).