1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide

C22H19FN4O3 — CID 8589909

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(N3CCCC3=O)c2)nn1-c1ccccc1F
InChIInChI=1S/C22H19FN4O3/c1-14-12-19(28)21(25-27(14)18-9-3-2-8-17(18)23)22(30)24-15-6-4-7-16(13-15)26-11-5-10-20(26)29/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,30)
InChIKeyWWLXQXPGDFIYID-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 8589909) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
PubChem CID8589909
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(N3CCCC3=O)c2)nn1-c1ccccc1F
InChIInChI=1S/C22H19FN4O3/c1-14-12-19(28)21(25-27(14)18-9-3-2-8-17(18)23)22(30)24-15-6-4-7-16(13-15)26-11-5-10-20(26)29/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,30)
InChIKeyWWLXQXPGDFIYID-UHFFFAOYSA-N
XLogP3.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide 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 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide (CID 8589909) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(N3CCCC3=O)c2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is WWLXQXPGDFIYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-14-12-19(28)21(25-27(14)18-9-3-2-8-17(18)23)22(30)24-15-6-4-7-16(13-15)26-11-5-10-20(26)29/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,30).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 8589909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).