5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one

C20H25N3O4 — CID 71830824

IUPAC5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCC(=O)N3CCCC3)c(=O)cc2OC)cc1
InChIInChI=1S/C20H25N3O4/c1-26-16-9-7-15(8-10-16)20-17(27-2)14-19(25)23(21-20)13-5-6-18(24)22-11-3-4-12-22/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeyBXKGUAKXDSJAGZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.33
Rot. Bonds7

About 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one

5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one (PubChem CID 71830824) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
PubChem CID71830824
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCC(=O)N3CCCC3)c(=O)cc2OC)cc1
InChIInChI=1S/C20H25N3O4/c1-26-16-9-7-15(8-10-16)20-17(27-2)14-19(25)23(21-20)13-5-6-18(24)22-11-3-4-12-22/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeyBXKGUAKXDSJAGZ-UHFFFAOYSA-N
XLogP2.33
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)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

Related Compounds

5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830838
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830829
N-(2-methoxyethyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830846
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830816
6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7666598
2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16885034
4-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-1-piperidin-1-ylbutan-1-one
CID 3300627
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
CID 97458800
6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one
CID 16885349

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one (CID 71830824) is 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one is COc1ccc(-c2nn(CCCC(=O)N3CCCC3)c(=O)cc2OC)cc1.
What is the InChIKey of 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one?
The InChIKey is BXKGUAKXDSJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-16-9-7-15(8-10-16)20-17(27-2)14-19(25)23(21-20)13-5-6-18(24)22-11-3-4-12-22/h7-10,14H,3-6,11-13H2,1-2H3.
What are the key properties of 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one?
5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one has a molecular weight of 371.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one is sourced from PubChem (CID 71830824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).