[4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol

C17H13N3OS — CID 126673004

IUPAC[4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C17H13N3OS/c21-11-12-3-5-13(6-4-12)14-7-8-17-18-10-15(20(17)19-14)16-2-1-9-22-16/h1-10,21H,11H2
InChIKeyXDVPQSNUWDQLQM-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.62
Rot. Bonds3

About [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol

[4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (PubChem CID 126673004) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
PubChem CID126673004
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name[4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C17H13N3OS/c21-11-12-3-5-13(6-4-12)14-7-8-17-18-10-15(20(17)19-14)16-2-1-9-22-16/h1-10,21H,11H2
InChIKeyXDVPQSNUWDQLQM-UHFFFAOYSA-N
XLogP3.62
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The IUPAC name of [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (CID 126673004) is [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.
What is the SMILES notation for [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The canonical SMILES for [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is OCc1ccc(-c2ccc3ncc(-c4cccs4)n3n2)cc1.
What is the InChIKey of [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The InChIKey is XDVPQSNUWDQLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-11-12-3-5-13(6-4-12)14-7-8-17-18-10-15(20(17)19-14)16-2-1-9-22-16/h1-10,21H,11H2.
What are the key properties of [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
[4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol has a molecular weight of 307.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is sourced from PubChem (CID 126673004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).