6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine

C17H11N3O2S — CID 155553952

IUPAC6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2cnc3ccc(-c4ccc5c(c4)OCO5)nn23)c1
InChIInChI=1S/C17H11N3O2S/c1-2-16(23-7-1)13-9-18-17-6-4-12(19-20(13)17)11-3-5-14-15(8-11)22-10-21-14/h1-9H,10H2
InChIKeyZFOZOPJUCIONKK-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.85
Rot. Bonds2

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

6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 155553952) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID155553952
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2cnc3ccc(-c4ccc5c(c4)OCO5)nn23)c1
InChIInChI=1S/C17H11N3O2S/c1-2-16(23-7-1)13-9-18-17-6-4-12(19-20(13)17)11-3-5-14-15(8-11)22-10-21-14/h1-9H,10H2
InChIKeyZFOZOPJUCIONKK-UHFFFAOYSA-N
XLogP3.85
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine (CID 155553952) is 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine is c1csc(-c2cnc3ccc(-c4ccc5c(c4)OCO5)nn23)c1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is ZFOZOPJUCIONKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c1-2-16(23-7-1)13-9-18-17-6-4-12(19-20(13)17)11-3-5-14-15(8-11)22-10-21-14/h1-9H,10H2.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 321.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 155553952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).