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

C20H17N3O3S2 — CID 118720958

IUPAC6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1
InChIInChI=1S/C20H17N3O3S2/c1-27(24)16-5-3-4-15(12-16)18-10-11-20-21-13-19(23(20)22-18)14-6-8-17(9-7-14)28(2,25)26/h3-13H,1-2H3
InChIKeyFFAYSMKZHCTGAI-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.20
Rot. Bonds4

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

6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 118720958) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
PubChem CID118720958
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1
InChIInChI=1S/C20H17N3O3S2/c1-27(24)16-5-3-4-15(12-16)18-10-11-20-21-13-19(23(20)22-18)14-6-8-17(9-7-14)28(2,25)26/h3-13H,1-2H3
InChIKeyFFAYSMKZHCTGAI-UHFFFAOYSA-N
XLogP3.20
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 155545020
3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 155537745
3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzonitrile
CID 90670281
N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine
CID 155515900
5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 25122276
N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 90670284
[4-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126672864
3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine
CID 160699273
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 143597765
N-[4-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
CID 155549224
[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126673222

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (CID 118720958) is 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is CS(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1.
What is the InChIKey of 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is FFAYSMKZHCTGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-27(24)16-5-3-4-15(12-16)18-10-11-20-21-13-19(23(20)22-18)14-6-8-17(9-7-14)28(2,25)26/h3-13H,1-2H3.
What are the key properties of 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 411.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118720958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).