2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one

C22H21Cl2N3O — CID 41376665

IUPAC2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(N3CCCCC3)cc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H21Cl2N3O/c23-19-9-4-16(14-20(19)24)15-27-22(28)11-10-21(25-27)17-5-7-18(8-6-17)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2
InChIKeyRXWLOZHAQNZICN-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.26
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one

2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one (PubChem CID 41376665) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
PubChem CID41376665
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(N3CCCCC3)cc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H21Cl2N3O/c23-19-9-4-16(14-20(19)24)15-27-22(28)11-10-21(25-27)17-5-7-18(8-6-17)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2
InChIKeyRXWLOZHAQNZICN-UHFFFAOYSA-N
XLogP5.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)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-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one (CID 41376665) is 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one is O=c1ccc(-c2ccc(N3CCCCC3)cc2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
The InChIKey is RXWLOZHAQNZICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c23-19-9-4-16(14-20(19)24)15-27-22(28)11-10-21(25-27)17-5-7-18(8-6-17)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one has a molecular weight of 414.34 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 41376665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).