6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine

C21H19N3O2 — CID 141201904

IUPAC6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4ccccc4)n3n2)cc1OC
InChIInChI=1S/C21H19N3O2/c1-14-21(15-7-5-4-6-8-15)24-20(22-14)12-10-17(23-24)16-9-11-18(25-2)19(13-16)26-3/h4-13H,1-3H3
InChIKeyAHEYLGRZZBVXIJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.39
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine

6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine (PubChem CID 141201904) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
PubChem CID141201904
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4ccccc4)n3n2)cc1OC
InChIInChI=1S/C21H19N3O2/c1-14-21(15-7-5-4-6-8-15)24-20(22-14)12-10-17(23-24)16-9-11-18(25-2)19(13-16)26-3/h4-13H,1-3H3
InChIKeyAHEYLGRZZBVXIJ-UHFFFAOYSA-N
XLogP4.39
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 24946965
6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 24947899
3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 24947525
5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 25121787
2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile
CID 24946100
3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 86648174
1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 68671543
tert-butyl N-[3-[4-[3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]propyl]carbamate
CID 24948655
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 59606628
7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036245
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine (CID 141201904) is 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine is COc1ccc(-c2ccc3nc(C)c(-c4ccccc4)n3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine?
The InChIKey is AHEYLGRZZBVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-21(15-7-5-4-6-8-15)24-20(22-14)12-10-17(23-24)16-9-11-18(25-2)19(13-16)26-3/h4-13H,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine?
6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine has a molecular weight of 345.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 141201904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).