4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

C20H18N4O — CID 42600928

IUPAC4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3
InChIKeyAYBHAKOBTPNMON-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.11
Rot. Bonds3

About 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 42600928) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
PubChem CID42600928
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3
InChIKeyAYBHAKOBTPNMON-UHFFFAOYSA-N
XLogP4.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine 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-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (CID 42600928) is 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is COc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is AYBHAKOBTPNMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 330.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 42600928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).