2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one

C28H27FN2O4 — CID 16678281

IUPAC2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1cc(Cn2nc(C)c(-c3ccccc3O)c(CCc3cccc(F)c3)c2=O)cc(OC)c1
InChIInChI=1S/C28H27FN2O4/c1-18-27(24-9-4-5-10-26(24)32)25(12-11-19-7-6-8-21(29)13-19)28(33)31(30-18)17-20-14-22(34-2)16-23(15-20)35-3/h4-10,13-16,32H,11-12,17H2,1-3H3
InChIKeyUYPPUOCFZXOBSP-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.91
Rot. Bonds8

About 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one

2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one (PubChem CID 16678281) has the molecular formula C28H27FN2O4 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one
PubChem CID16678281
Molecular FormulaC28H27FN2O4
Molecular Weight474.53 g/mol
Exact Mass474.20
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1cc(Cn2nc(C)c(-c3ccccc3O)c(CCc3cccc(F)c3)c2=O)cc(OC)c1
InChIInChI=1S/C28H27FN2O4/c1-18-27(24-9-4-5-10-26(24)32)25(12-11-19-7-6-8-21(29)13-19)28(33)31(30-18)17-20-14-22(34-2)16-23(15-20)35-3/h4-10,13-16,32H,11-12,17H2,1-3H3
InChIKeyUYPPUOCFZXOBSP-UHFFFAOYSA-N
XLogP4.91
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-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-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one (CID 16678281) is 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one is COc1cc(Cn2nc(C)c(-c3ccccc3O)c(CCc3cccc(F)c3)c2=O)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one?
The InChIKey is UYPPUOCFZXOBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O4/c1-18-27(24-9-4-5-10-26(24)32)25(12-11-19-7-6-8-21(29)13-19)28(33)31(30-18)17-20-14-22(34-2)16-23(15-20)35-3/h4-10,13-16,32H,11-12,17H2,1-3H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one?
2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one has a molecular weight of 474.53 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 16678281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).