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

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Related Compounds

Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Unii-XX8E5WP7FS
CID 118009787
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
ML303
CID 136141525
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263

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).