6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine

C21H19N3O2 — CID 126672987

IUPAC6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1OC
InChIInChI=1S/C21H19N3O2/c1-25-19-10-8-16(13-20(19)26-2)18-14-22-21-11-9-17(23-24(18)21)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3
InChIKeyWLNDLXJBLQPIFZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.00
Rot. Bonds5

About 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine

6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine (PubChem CID 126672987) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
PubChem CID126672987
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1OC
InChIInChI=1S/C21H19N3O2/c1-25-19-10-8-16(13-20(19)26-2)18-14-22-21-11-9-17(23-24(18)21)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3
InChIKeyWLNDLXJBLQPIFZ-UHFFFAOYSA-N
XLogP4.00
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]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 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine (CID 126672987) is 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine is COc1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1OC.
What is the InChIKey of 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is WLNDLXJBLQPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-25-19-10-8-16(13-20(19)26-2)18-14-22-21-11-9-17(23-24(18)21)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 345.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 126672987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).