6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one

C22H19ClF2N2O3 — CID 158568894

IUPAC6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one
SMILESCC(O)C(C)CC(=O)c1cc(-c2ccc(Cl)c(F)c2)nn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C22H19ClF2N2O3/c1-12(13(2)28)8-21(29)17-11-20(14-6-7-18(23)19(25)9-14)26-27(22(17)30)16-5-3-4-15(24)10-16/h3-7,9-13,28H,8H2,1-2H3
InChIKeyHRVIXJDKTIERCY-UHFFFAOYSA-N
MW432.85 g/mol
LogP4.42
Rot. Bonds6

About 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one

6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one (PubChem CID 158568894) has the molecular formula C22H19ClF2N2O3 and a molecular weight of 432.85 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one
PubChem CID158568894
Molecular FormulaC22H19ClF2N2O3
Molecular Weight432.85 g/mol
Exact Mass432.11
IUPAC Name6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one
SMILESCC(O)C(C)CC(=O)c1cc(-c2ccc(Cl)c(F)c2)nn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C22H19ClF2N2O3/c1-12(13(2)28)8-21(29)17-11-20(14-6-7-18(23)19(25)9-14)26-27(22(17)30)16-5-3-4-15(24)10-16/h3-7,9-13,28H,8H2,1-2H3
InChIKeyHRVIXJDKTIERCY-UHFFFAOYSA-N
XLogP4.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-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 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one?
The IUPAC name of 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one (CID 158568894) is 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one?
The canonical SMILES for 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one is CC(O)C(C)CC(=O)c1cc(-c2ccc(Cl)c(F)c2)nn(-c2cccc(F)c2)c1=O.
What is the InChIKey of 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one?
The InChIKey is HRVIXJDKTIERCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O3/c1-12(13(2)28)8-21(29)17-11-20(14-6-7-18(23)19(25)9-14)26-27(22(17)30)16-5-3-4-15(24)10-16/h3-7,9-13,28H,8H2,1-2H3.
What are the key properties of 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one?
6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one has a molecular weight of 432.85 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one is sourced from PubChem (CID 158568894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).