6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine

C21H18ClN3O2S — CID 143597765

IUPAC6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)c1cccc(-c2cnc3ccc(OCCc4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C21H18ClN3O2S/c1-28(26)18-7-3-5-16(13-18)19-14-23-20-8-9-21(24-25(19)20)27-11-10-15-4-2-6-17(22)12-15/h2-9,12-14H,10-11H2,1H3
InChIKeyROJAZKKLHCHDAN-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.41
Rot. Bonds6

About 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine

6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 143597765) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
PubChem CID143597765
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC Name6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)c1cccc(-c2cnc3ccc(OCCc4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C21H18ClN3O2S/c1-28(26)18-7-3-5-16(13-18)19-14-23-20-8-9-21(24-25(19)20)27-11-10-15-4-2-6-17(22)12-15/h2-9,12-14H,10-11H2,1H3
InChIKeyROJAZKKLHCHDAN-UHFFFAOYSA-N
XLogP4.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 155537745
2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate
CID 89494350
6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 118720958
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 71154364
3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
CID 24850546
6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine
CID 143597822
3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857719
benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 144548771
3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine
CID 143597860
3-[4-[(3S)-3-methylpiperazin-1-yl]-1-benzofuran-2-yl]-6-(3-methylsulfinylpropoxy)imidazo[1,2-b]pyridazine
CID 90368885
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 123445436

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine (CID 143597765) is 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine is CS(=O)c1cccc(-c2cnc3ccc(OCCc4cccc(Cl)c4)nn23)c1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is ROJAZKKLHCHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-28(26)18-7-3-5-16(13-18)19-14-23-20-8-9-21(24-25(19)20)27-11-10-15-4-2-6-17(22)12-15/h2-9,12-14H,10-11H2,1H3.
What are the key properties of 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 411.91 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 143597765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).