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

C22H21N3O4S — CID 160699273

IUPAC3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccc(CS(C)(=O)=O)c4)nn23)cc1OC
InChIInChI=1S/C22H21N3O4S/c1-28-20-9-7-17(12-21(20)29-2)19-13-23-22-10-8-18(24-25(19)22)16-6-4-5-15(11-16)14-30(3,26)27/h4-13H,14H2,1-3H3
InChIKeyRQKCOQPQRIEHLF-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.63
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 160699273) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID160699273
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccc(CS(C)(=O)=O)c4)nn23)cc1OC
InChIInChI=1S/C22H21N3O4S/c1-28-20-9-7-17(12-21(20)29-2)19-13-23-22-10-8-18(24-25(19)22)16-6-4-5-15(11-16)14-30(3,26)27/h4-13H,14H2,1-3H3
InChIKeyRQKCOQPQRIEHLF-UHFFFAOYSA-N
XLogP3.63
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
6-(3,4-dimethoxyphenyl)-3-(furan-3-yl)imidazo[1,2-b]pyridazine
CID 71768286
3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 126673112
[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126673222
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzonitrile
CID 90670281
6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 162753468
6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 24947899
3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 155537745
6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 118720958
(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
CID 58857690

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine (CID 160699273) is 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine is COc1ccc(-c2cnc3ccc(-c4cccc(CS(C)(=O)=O)c4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is RQKCOQPQRIEHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-28-20-9-7-17(12-21(20)29-2)19-13-23-22-10-8-18(24-25(19)22)16-6-4-5-15(11-16)14-30(3,26)27/h4-13H,14H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine?
3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 423.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 160699273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).