4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one

C34H29FN2O2 — CID 69398233

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
SMILESCc1nn(CCc2ccccc2)c(=O)c(/C=C/c2ccc(F)cc2)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C34H29FN2O2/c1-25-33(30-14-8-9-15-32(30)39-24-28-12-6-3-7-13-28)31(21-18-27-16-19-29(35)20-17-27)34(38)37(36-25)23-22-26-10-4-2-5-11-26/h2-21H,22-24H2,1H3/b21-18+
InChIKeyIKEXLUGATJHJHQ-DYTRJAOYSA-N
MW516.62 g/mol
LogP7.35
Rot. Bonds9

About 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one

4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one (PubChem CID 69398233) has the molecular formula C34H29FN2O2 and a molecular weight of 516.62 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
PubChem CID69398233
Molecular FormulaC34H29FN2O2
Molecular Weight516.62 g/mol
Exact Mass516.22
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
SMILESCc1nn(CCc2ccccc2)c(=O)c(/C=C/c2ccc(F)cc2)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C34H29FN2O2/c1-25-33(30-14-8-9-15-32(30)39-24-28-12-6-3-7-13-28)31(21-18-27-16-19-29(35)20-17-27)34(38)37(36-25)23-22-26-10-4-2-5-11-26/h2-21H,22-24H2,1H3/b21-18+
InChIKeyIKEXLUGATJHJHQ-DYTRJAOYSA-N
XLogP7.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)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 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one (CID 69398233) is 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one is Cc1nn(CCc2ccccc2)c(=O)c(/C=C/c2ccc(F)cc2)c1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
The InChIKey is IKEXLUGATJHJHQ-DYTRJAOYSA-N. The full InChI is InChI=1S/C34H29FN2O2/c1-25-33(30-14-8-9-15-32(30)39-24-28-12-6-3-7-13-28)31(21-18-27-16-19-29(35)20-17-27)34(38)37(36-25)23-22-26-10-4-2-5-11-26/h2-21H,22-24H2,1H3/b21-18+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one has a molecular weight of 516.62 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 69398233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).