2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one

C19H12FN3O — CID 22079223

IUPAC2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccnc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O/c20-14-7-9-15(10-8-14)23-19(24)17-6-2-1-5-16(17)18(22-23)13-4-3-11-21-12-13/h1-12H
InChIKeyLXSZDEOQHGTLFK-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.59
Rot. Bonds2

About 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one

2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one (PubChem CID 22079223) has the molecular formula C19H12FN3O and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one
PubChem CID22079223
Molecular FormulaC19H12FN3O
Molecular Weight317.32 g/mol
Exact Mass317.10
IUPAC Name2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccnc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O/c20-14-7-9-15(10-8-14)23-19(24)17-6-2-1-5-16(17)18(22-23)13-4-3-11-21-12-13/h1-12H
InChIKeyLXSZDEOQHGTLFK-UHFFFAOYSA-N
XLogP3.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one 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-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one (CID 22079223) is 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one is O=c1c2ccccc2c(-c2cccnc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one?
The InChIKey is LXSZDEOQHGTLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O/c20-14-7-9-15(10-8-14)23-19(24)17-6-2-1-5-16(17)18(22-23)13-4-3-11-21-12-13/h1-12H.
What are the key properties of 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one?
2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one has a molecular weight of 317.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one is sourced from PubChem (CID 22079223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).