8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one

C20H15N3O2 — CID 19700943

IUPAC8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(=O)c3cccnc23)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-11-9-14(10-12-16)18-19-17(8-5-13-21-19)20(24)23(22-18)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyHHABITLOKHDUGQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.46
Rot. Bonds3

About 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one

8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one (PubChem CID 19700943) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
PubChem CID19700943
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(=O)c3cccnc23)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-11-9-14(10-12-16)18-19-17(8-5-13-21-19)20(24)23(22-18)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyHHABITLOKHDUGQ-UHFFFAOYSA-N
XLogP3.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-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 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one (CID 19700943) is 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one is COc1ccc(-c2nn(-c3ccccc3)c(=O)c3cccnc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
The InChIKey is HHABITLOKHDUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-16-11-9-14(10-12-16)18-19-17(8-5-13-21-19)20(24)23(22-18)15-6-3-2-4-7-15/h2-13H,1H3.
What are the key properties of 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 329.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 19700943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).