3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine

C18H15N3O2S — CID 126673112

IUPAC3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccs4)nn23)cc1OC
InChIInChI=1S/C18H15N3O2S/c1-22-15-7-5-12(10-16(15)23-2)14-11-19-18-8-6-13(20-21(14)18)17-4-3-9-24-17/h3-11H,1-2H3
InChIKeyBPJGGZICQCYRPK-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.14
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine

3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 126673112) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID126673112
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccs4)nn23)cc1OC
InChIInChI=1S/C18H15N3O2S/c1-22-15-7-5-12(10-16(15)23-2)14-11-19-18-8-6-13(20-21(14)18)17-4-3-9-24-17/h3-11H,1-2H3
InChIKeyBPJGGZICQCYRPK-UHFFFAOYSA-N
XLogP4.14
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine (CID 126673112) is 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine is COc1ccc(-c2cnc3ccc(-c4cccs4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is BPJGGZICQCYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-22-15-7-5-12(10-16(15)23-2)14-11-19-18-8-6-13(20-21(14)18)17-4-3-9-24-17/h3-11H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine?
3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 337.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 126673112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).