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

C17H13N3OS — CID 126673064

IUPAC[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H13N3OS/c21-11-12-3-1-4-13(9-12)14-6-7-17-18-10-15(20(17)19-14)16-5-2-8-22-16/h1-10,21H,11H2
InChIKeyQASIOWNTGRVGSQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.62
Rot. Bonds3

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

[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (PubChem CID 126673064) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
PubChem CID126673064
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H13N3OS/c21-11-12-3-1-4-13(9-12)14-6-7-17-18-10-15(20(17)19-14)16-5-2-8-22-16/h1-10,21H,11H2
InChIKeyQASIOWNTGRVGSQ-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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Related Compounds

(3-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093439
4-[(6-Thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11324313
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
[4-[3-(3-Pyridyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 90480158
[4-[3-[3-(Hydroxymethyl) phenyl]imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126672786
[3-[6-(4-Methylsulfonyl-phenyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] methanol
CID 126672891
[3-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672925
4-[3-(3-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenol
CID 126673302
[4-[4-Amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71187309
US9884868, Example 256''
CID 122510918
[2-[3-[5-(Hydroxymethyl)thiophen-2-yl]imidazo[1,5-a]pyridin-1-yl]phenyl]methanol
CID 134132602
[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080

Frequently Asked Questions

What is the IUPAC name of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The IUPAC name of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (CID 126673064) is [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.
What is the SMILES notation for [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The canonical SMILES for [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is OCc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1.
What is the InChIKey of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The InChIKey is QASIOWNTGRVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-11-12-3-1-4-13(9-12)14-6-7-17-18-10-15(20(17)19-14)16-5-2-8-22-16/h1-10,21H,11H2.
What are the key properties of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
[3-(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 [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is sourced from PubChem (CID 126673064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).