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

C16H9FN4O3 — CID 174488020

IUPAC(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate
SMILESO=C(On1[nH]c2c(nnc3c(F)cccc32)c1=O)c1ccccc1
InChIInChI=1S/C16H9FN4O3/c17-11-8-4-7-10-12(11)18-19-14-13(10)20-21(15(14)22)24-16(23)9-5-2-1-3-6-9/h1-8,20H
InChIKeyYXBGEDQGPFKACF-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.68
Rot. Bonds2

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

(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate (PubChem CID 174488020) has the molecular formula C16H9FN4O3 and a molecular weight of 324.27 g/mol. Its IUPAC name is (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate.

Molecular Properties

Compound Name(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate
PubChem CID174488020
Molecular FormulaC16H9FN4O3
Molecular Weight324.27 g/mol
Exact Mass324.07
IUPAC Name(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate
SMILESO=C(On1[nH]c2c(nnc3c(F)cccc32)c1=O)c1ccccc1
InChIInChI=1S/C16H9FN4O3/c17-11-8-4-7-10-12(11)18-19-14-13(10)20-21(15(14)22)24-16(23)9-5-2-1-3-6-9/h1-8,20H
InChIKeyYXBGEDQGPFKACF-UHFFFAOYSA-N
XLogP1.68
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate?
The IUPAC name of (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate (CID 174488020) is (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate.
What is the SMILES notation for (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate?
The canonical SMILES for (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate is O=C(On1[nH]c2c(nnc3c(F)cccc32)c1=O)c1ccccc1.
What is the InChIKey of (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate?
The InChIKey is YXBGEDQGPFKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O3/c17-11-8-4-7-10-12(11)18-19-14-13(10)20-21(15(14)22)24-16(23)9-5-2-1-3-6-9/h1-8,20H.
What are the key properties of (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate?
(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate has a molecular weight of 324.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl) benzoate is sourced from PubChem (CID 174488020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).