2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine

C20H15N3O3S — CID 10762137

IUPAC2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine
SMILESCOc1ccccc1Sc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C20H15N3O3S/c1-24-16-4-2-3-5-18(16)27-20-9-8-19-21-14(11-23(19)22-20)13-6-7-15-17(10-13)26-12-25-15/h2-11H,12H2,1H3
InChIKeyULNBYNCKPHGXJW-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.28
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine

2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine (PubChem CID 10762137) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine
PubChem CID10762137
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine
SMILESCOc1ccccc1Sc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C20H15N3O3S/c1-24-16-4-2-3-5-18(16)27-20-9-8-19-21-14(11-23(19)22-20)13-6-7-15-17(10-13)26-12-25-15/h2-11H,12H2,1H3
InChIKeyULNBYNCKPHGXJW-UHFFFAOYSA-N
XLogP4.28
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 15749997
2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine
CID 11771382
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581675
6-(3-methoxyphenyl)sulfanyl-2-phenylimidazo[1,2-b]pyridazine
CID 10568650
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
CID 22581685
2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one
CID 53118153
2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine
CID 15750003
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 7664012
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18562271
methyl 5-(1,3-benzodioxol-5-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29092222
N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581668
N-[6-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-2-yl]-N-(4-tert-butylphenyl)formamide
CID 87534362

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine (CID 10762137) is 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine is COc1ccccc1Sc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine?
The InChIKey is ULNBYNCKPHGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-24-16-4-2-3-5-18(16)27-20-9-8-19-21-14(11-23(19)22-20)13-6-7-15-17(10-13)26-12-25-15/h2-11H,12H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine?
2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine has a molecular weight of 377.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 10762137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).