7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H17FN6O3 — CID 11761360

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11761360) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 11761360
• Molecular Formula: C17H17FN6O3
• Molecular Weight: 372.36 g/mol
• Exact Mass: 372.13
• IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cn1nccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N)C3)nc21
• InChI: InChI=1S/C17H17FN6O3/c1-22-13(2-4-20-22)24-8-11(17(26)27)14(25)10-6-12(18)16(21-15(10)24)23-5-3-9(19)7-23/h2,4,6,8-9H,3,5,7,19H2,1H3,(H,26,27)
• InChIKey: AGBATLAXHIITHO-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 119.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.36
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 11761360) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cn1nccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N)C3)nc21.

What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is AGBATLAXHIITHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c1-22-13(2-4-20-22)24-8-11(17(26)27)14(25)10-6-12(18)16(21-15(10)24)23-5-3-9(19)7-23/h2,4,6,8-9H,3,5,7,19H2,1H3,(H,26,27).

What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 372.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11761360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).