3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine

C20H17N3O2S — CID 54562121

IUPAC3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine
SMILESCOc1c(-c2ccccc2)nc2ccc(Oc3ccccc3SC)nn12
InChIInChI=1S/C20H17N3O2S/c1-24-20-19(14-8-4-3-5-9-14)21-17-12-13-18(22-23(17)20)25-15-10-6-7-11-16(15)26-2/h3-13H,1-2H3
InChIKeyZRHMAESRCLFGSS-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.92
Rot. Bonds5

About 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine

3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine (PubChem CID 54562121) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine
PubChem CID54562121
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine
SMILESCOc1c(-c2ccccc2)nc2ccc(Oc3ccccc3SC)nn12
InChIInChI=1S/C20H17N3O2S/c1-24-20-19(14-8-4-3-5-9-14)21-17-12-13-18(22-23(17)20)25-15-10-6-7-11-16(15)26-2/h3-13H,1-2H3
InChIKeyZRHMAESRCLFGSS-UHFFFAOYSA-N
XLogP4.92
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine (CID 54562121) is 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine is COc1c(-c2ccccc2)nc2ccc(Oc3ccccc3SC)nn12.
What is the InChIKey of 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine?
The InChIKey is ZRHMAESRCLFGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-20-19(14-8-4-3-5-9-14)21-17-12-13-18(22-23(17)20)25-15-10-6-7-11-16(15)26-2/h3-13H,1-2H3.
What are the key properties of 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine?
3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine has a molecular weight of 363.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(2-methylsulfanylphenoxy)-2-phenylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 54562121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).