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

C18H15F2N5O3 — CID 10667921

IUPAC6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccncc2F)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C18H15F2N5O3/c19-12-7-10-15(26)11(18(27)28)9-25(14-1-2-22-8-13(14)20)16(10)23-17(12)24-5-3-21-4-6-24/h1-2,7-9,21H,3-6H2,(H,27,28)
InChIKeyZAEXKTNYJIJEGH-UHFFFAOYSA-N
MW387.35 g/mol
LogP1.17
Rot. Bonds3

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

6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10667921) has the molecular formula C18H15F2N5O3 and a molecular weight of 387.35 g/mol. Its IUPAC name is 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID10667921
Molecular FormulaC18H15F2N5O3
Molecular Weight387.35 g/mol
Exact Mass387.11
IUPAC Name6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccncc2F)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C18H15F2N5O3/c19-12-7-10-15(26)11(18(27)28)9-25(14-1-2-22-8-13(14)20)16(10)23-17(12)24-5-3-21-4-6-24/h1-2,7-9,21H,3-6H2,(H,27,28)
InChIKeyZAEXKTNYJIJEGH-UHFFFAOYSA-N
XLogP1.17
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70285331
6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 14041766
6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70480613
6-fluoro-4-oxo-7-piperazin-1-yl-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134359952
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxoquinoline-3-carboxylic acid
CID 18985302
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814
7-[(1R,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 98079436
6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10340975
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-3-yl-1,8-naphthyridine-3-carboxylic acid
CID 163789812
6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 15712696
1-(3,5-difluoro-2-pyridinyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346790

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 10667921) is 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccncc2F)c2nc(N3CCNCC3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ZAEXKTNYJIJEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O3/c19-12-7-10-15(26)11(18(27)28)9-25(14-1-2-22-8-13(14)20)16(10)23-17(12)24-5-3-21-4-6-24/h1-2,7-9,21H,3-6H2,(H,27,28).
What are the key properties of 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 387.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10667921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).