6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C19H17F2N5O3 — CID 10340975

About 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10340975) has the molecular formula C19H17F2N5O3 and a molecular weight of 401.37 g/mol. Its IUPAC name is 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 10340975
• Molecular Formula: C19H17F2N5O3
• Molecular Weight: 401.37 g/mol
• Exact Mass: 401.13
• IUPAC Name: 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cn2)CC1
• InChI: InChI=1S/C19H17F2N5O3/c1-24-4-6-25(7-5-24)18-14(21)8-12-16(27)13(19(28)29)10-26(17(12)23-18)15-3-2-11(20)9-22-15/h2-3,8-10H,4-7H2,1H3,(H,28,29)
• InChIKey: PWRMLZJBOITCND-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.37
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 10340975) is 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cn2)CC1.

What is the InChIKey of 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is PWRMLZJBOITCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3/c1-24-4-6-25(7-5-24)18-14(21)8-12-16(27)13(19(28)29)10-26(17(12)23-18)15-3-2-11(20)9-22-15/h2-3,8-10H,4-7H2,1H3,(H,28,29).

What are the key properties of 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 401.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10340975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).