5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile

C19H11FN6O — CID 46872730

IUPAC5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1
InChIInChI=1S/C19H11FN6O/c20-15-3-1-2-4-16(15)26-17(5-7-23-26)19-18(27)6-8-25(24-19)14-9-13(10-21)11-22-12-14/h1-9,11-12H
InChIKeyNGANBCMCXDLOAW-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.49
Rot. Bonds3

About 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile

5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile (PubChem CID 46872730) has the molecular formula C19H11FN6O and a molecular weight of 358.34 g/mol. Its IUPAC name is 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile
PubChem CID46872730
Molecular FormulaC19H11FN6O
Molecular Weight358.34 g/mol
Exact Mass358.10
IUPAC Name5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1
InChIInChI=1S/C19H11FN6O/c20-15-3-1-2-4-16(15)26-17(5-7-23-26)19-18(27)6-8-25(24-19)14-9-13(10-21)11-22-12-14/h1-9,11-12H
InChIKeyNGANBCMCXDLOAW-UHFFFAOYSA-N
XLogP2.49
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile 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 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile (CID 46872730) is 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile is N#Cc1cncc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1.
What is the InChIKey of 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NGANBCMCXDLOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN6O/c20-15-3-1-2-4-16(15)26-17(5-7-23-26)19-18(27)6-8-25(24-19)14-9-13(10-21)11-22-12-14/h1-9,11-12H.
What are the key properties of 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile?
5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 358.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 46872730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).