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

C19H15F3N4O3 — CID 70441312

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

7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70441312) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 70441312
• Molecular Formula: C19H15F3N4O3
• Molecular Weight: 404.35 g/mol
• Exact Mass: 404.11
• IUPAC Name: 7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: NC1CCNC1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F
• InChI: InChI=1S/C19H15F3N4O3/c20-8-1-2-14(11(21)5-8)26-7-10(19(28)29)17(27)9-6-12(22)15(25-18(9)26)16-13(23)3-4-24-16/h1-2,5-7,13,16,24H,3-4,23H2,(H,28,29)
• InChIKey: WGCZPUJDRDPYDX-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 110.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.35
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 70441312) is 7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is NC1CCNC1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F.

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

The InChIKey is WGCZPUJDRDPYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c20-8-1-2-14(11(21)5-8)26-7-10(19(28)29)17(27)9-6-12(22)15(25-18(9)26)16-13(23)3-4-24-16/h1-2,5-7,13,16,24H,3-4,23H2,(H,28,29).

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

7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 404.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70441312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).