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

C16H16FN7O3 — CID 19939785

IUPAC6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-n2cnnc2)CC1
InChIInChI=1S/C16H16FN7O3/c1-21-2-4-22(5-3-21)15-12(17)6-10-13(25)11(16(26)27)7-24(14(10)20-15)23-8-18-19-9-23/h6-9H,2-5H2,1H3,(H,26,27)
InChIKeyUYAYQAOHGVKHJO-UHFFFAOYSA-N
MW373.35 g/mol
LogP-0.11
Rot. Bonds3

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

6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 19939785) has the molecular formula C16H16FN7O3 and a molecular weight of 373.35 g/mol. Its IUPAC name is 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID19939785
Molecular FormulaC16H16FN7O3
Molecular Weight373.35 g/mol
Exact Mass373.13
IUPAC Name6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-n2cnnc2)CC1
InChIInChI=1S/C16H16FN7O3/c1-21-2-4-22(5-3-21)15-12(17)6-10-13(25)11(16(26)27)7-24(14(10)20-15)23-8-18-19-9-23/h6-9H,2-5H2,1H3,(H,26,27)
InChIKeyUYAYQAOHGVKHJO-UHFFFAOYSA-N
XLogP-0.11
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid (CID 19939785) is 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid is CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-n2cnnc2)CC1.
What is the InChIKey of 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is UYAYQAOHGVKHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7O3/c1-21-2-4-22(5-3-21)15-12(17)6-10-13(25)11(16(26)27)7-24(14(10)20-15)23-8-18-19-9-23/h6-9H,2-5H2,1H3,(H,26,27).
What are the key properties of 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 373.35 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(1,2,4-triazol-4-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 19939785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).