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

C22H21N3O4S — CID 24947899

IUPAC6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1OC
InChIInChI=1S/C22H21N3O4S/c1-14-22(16-6-5-7-17(12-16)30(4,26)27)25-21(23-14)11-9-18(24-25)15-8-10-19(28-2)20(13-15)29-3/h5-13H,1-4H3
InChIKeyJETZDFBSNDSFIA-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.79
Rot. Bonds5

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

6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 24947899) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
PubChem CID24947899
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1OC
InChIInChI=1S/C22H21N3O4S/c1-14-22(16-6-5-7-17(12-16)30(4,26)27)25-21(23-14)11-9-18(24-25)15-8-10-19(28-2)20(13-15)29-3/h5-13H,1-4H3
InChIKeyJETZDFBSNDSFIA-UHFFFAOYSA-N
XLogP3.79
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (CID 24947899) is 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is COc1ccc(-c2ccc3nc(C)c(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is JETZDFBSNDSFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-14-22(16-6-5-7-17(12-16)30(4,26)27)25-21(23-14)11-9-18(24-25)15-8-10-19(28-2)20(13-15)29-3/h5-13H,1-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 423.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 24947899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).