2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one

C16H16FN3O3 — CID 8556549

IUPAC2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCC1
InChIInChI=1S/C16H16FN3O3/c1-23-13-10-14(21)20(12-6-4-11(17)5-7-12)18-15(13)16(22)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3
InChIKeyJCFQOOUQPMISBF-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.62
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one

2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one (PubChem CID 8556549) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one
PubChem CID8556549
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCC1
InChIInChI=1S/C16H16FN3O3/c1-23-13-10-14(21)20(12-6-4-11(17)5-7-12)18-15(13)16(22)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3
InChIKeyJCFQOOUQPMISBF-UHFFFAOYSA-N
XLogP1.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)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 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one (CID 8556549) is 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
The InChIKey is JCFQOOUQPMISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-23-13-10-14(21)20(12-6-4-11(17)5-7-12)18-15(13)16(22)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one has a molecular weight of 317.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxy-6-(pyrrolidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 8556549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).