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

C25H20N4O — CID 1214658

IUPAC2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2cc3c(-c4ccc(-c5ccccc5)cc4)nnc(C)c3n2)cc1
InChIInChI=1S/C25H20N4O/c1-17-24-23(16-29(28-24)21-12-14-22(30-2)15-13-21)25(27-26-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3
InChIKeySIQURXBDFQRPHT-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.47
Rot. Bonds4

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

2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 1214658) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine
PubChem CID1214658
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2cc3c(-c4ccc(-c5ccccc5)cc4)nnc(C)c3n2)cc1
InChIInChI=1S/C25H20N4O/c1-17-24-23(16-29(28-24)21-12-14-22(30-2)15-13-21)25(27-26-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3
InChIKeySIQURXBDFQRPHT-UHFFFAOYSA-N
XLogP5.47
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine (CID 1214658) is 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine is COc1ccc(-n2cc3c(-c4ccc(-c5ccccc5)cc4)nnc(C)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is SIQURXBDFQRPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-24-23(16-29(28-24)21-12-14-22(30-2)15-13-21)25(27-26-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine?
2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 392.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 1214658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).