2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile

C21H15FN4O — CID 67485452

IUPAC2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cnnc(N3CCCC3=O)c2)ccc1F
InChIInChI=1S/C21H15FN4O/c22-19-8-7-14(10-18(19)17-5-2-1-4-15(17)12-23)16-11-20(25-24-13-16)26-9-3-6-21(26)27/h1-2,4-5,7-8,10-11,13H,3,6,9H2
InChIKeyLZCAFFRHORQIDK-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.95
Rot. Bonds3

About 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile

2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile (PubChem CID 67485452) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile
PubChem CID67485452
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cnnc(N3CCCC3=O)c2)ccc1F
InChIInChI=1S/C21H15FN4O/c22-19-8-7-14(10-18(19)17-5-2-1-4-15(17)12-23)16-11-20(25-24-13-16)26-9-3-6-21(26)27/h1-2,4-5,7-8,10-11,13H,3,6,9H2
InChIKeyLZCAFFRHORQIDK-UHFFFAOYSA-N
XLogP3.95
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile 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 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile (CID 67485452) is 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2cnnc(N3CCCC3=O)c2)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile?
The InChIKey is LZCAFFRHORQIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-19-8-7-14(10-18(19)17-5-2-1-4-15(17)12-23)16-11-20(25-24-13-16)26-9-3-6-21(26)27/h1-2,4-5,7-8,10-11,13H,3,6,9H2.
What are the key properties of 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile?
2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile has a molecular weight of 358.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[6-(2-oxopyrrolidin-1-yl)pyridazin-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 67485452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).