2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine

C19H15ClN4O — CID 3392313

IUPAC2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-c2nnc(C)c3nn(-c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C19H15ClN4O/c1-12-18-17(11-24(23-18)15-7-5-14(20)6-8-15)19(22-21-12)13-3-9-16(25-2)10-4-13/h3-11H,1-2H3
InChIKeyOYCDXZAUSBGNEU-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.45
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine

2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine (PubChem CID 3392313) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
PubChem CID3392313
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-c2nnc(C)c3nn(-c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C19H15ClN4O/c1-12-18-17(11-24(23-18)15-7-5-14(20)6-8-15)19(22-21-12)13-3-9-16(25-2)10-4-13/h3-11H,1-2H3
InChIKeyOYCDXZAUSBGNEU-UHFFFAOYSA-N
XLogP4.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[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 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine (CID 3392313) is 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine is COc1ccc(-c2nnc(C)c3nn(-c4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
The InChIKey is OYCDXZAUSBGNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-18-17(11-24(23-18)15-7-5-14(20)6-8-15)19(22-21-12)13-3-9-16(25-2)10-4-13/h3-11H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine has a molecular weight of 350.81 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 3392313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).