4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid

C16H9FN4O3 — CID 58974882

IUPAC4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3c(nnc4c(F)cccc43)c2=O)cc1
InChIInChI=1S/C16H9FN4O3/c17-11-3-1-2-10-12(11)18-19-14-13(10)20-21(15(14)22)9-6-4-8(5-7-9)16(23)24/h1-7,20H,(H,23,24)
InChIKeyCHWLWBFFYGAZGJ-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.10
Rot. Bonds2

About 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid

4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid (PubChem CID 58974882) has the molecular formula C16H9FN4O3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid
PubChem CID58974882
Molecular FormulaC16H9FN4O3
Molecular Weight324.27 g/mol
Exact Mass324.07
IUPAC Name4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3c(nnc4c(F)cccc43)c2=O)cc1
InChIInChI=1S/C16H9FN4O3/c17-11-3-1-2-10-12(11)18-19-14-13(10)20-21(15(14)22)9-6-4-8(5-7-9)16(23)24/h1-7,20H,(H,23,24)
InChIKeyCHWLWBFFYGAZGJ-UHFFFAOYSA-N
XLogP2.10
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid?
The IUPAC name of 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid (CID 58974882) is 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid.
What is the SMILES notation for 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid?
The canonical SMILES for 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid is O=C(O)c1ccc(-n2[nH]c3c(nnc4c(F)cccc43)c2=O)cc1.
What is the InChIKey of 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid?
The InChIKey is CHWLWBFFYGAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O3/c17-11-3-1-2-10-12(11)18-19-14-13(10)20-21(15(14)22)9-6-4-8(5-7-9)16(23)24/h1-7,20H,(H,23,24).
What are the key properties of 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid?
4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid has a molecular weight of 324.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzoic acid is sourced from PubChem (CID 58974882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).