2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile

C17H9FN4O — CID 87411155

IUPAC2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile
SMILESN#Cc1cc2c(=O)n(-c3ccccc3F)nc-2n2ccccc12
InChIInChI=1S/C17H9FN4O/c18-13-5-1-2-7-15(13)22-17(23)12-9-11(10-19)14-6-3-4-8-21(14)16(12)20-22/h1-9H
InChIKeyLHEXIBUUYOBLFE-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.60
Rot. Bonds1

About 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile

2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile (PubChem CID 87411155) has the molecular formula C17H9FN4O and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile
PubChem CID87411155
Molecular FormulaC17H9FN4O
Molecular Weight304.28 g/mol
Exact Mass304.08
IUPAC Name2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile
SMILESN#Cc1cc2c(=O)n(-c3ccccc3F)nc-2n2ccccc12
InChIInChI=1S/C17H9FN4O/c18-13-5-1-2-7-15(13)22-17(23)12-9-11(10-19)14-6-3-4-8-21(14)16(12)20-22/h1-9H
InChIKeyLHEXIBUUYOBLFE-UHFFFAOYSA-N
XLogP2.60
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile (CID 87411155) is 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile is N#Cc1cc2c(=O)n(-c3ccccc3F)nc-2n2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile?
The InChIKey is LHEXIBUUYOBLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN4O/c18-13-5-1-2-7-15(13)22-17(23)12-9-11(10-19)14-6-3-4-8-21(14)16(12)20-22/h1-9H.
What are the key properties of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile?
2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile has a molecular weight of 304.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile is sourced from PubChem (CID 87411155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).