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

C17H13N3O2S — CID 137001351

IUPAC2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol
SMILESCOc1cc(-c2ccc3ncc(-c4cccs4)n3n2)ccc1O
InChIInChI=1S/C17H13N3O2S/c1-22-15-9-11(4-6-14(15)21)12-5-7-17-18-10-13(20(17)19-12)16-3-2-8-23-16/h2-10,21H,1H3
InChIKeyWKNSEHBHHQRSLH-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.84
Rot. Bonds3

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

2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol (PubChem CID 137001351) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol
PubChem CID137001351
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol
SMILESCOc1cc(-c2ccc3ncc(-c4cccs4)n3n2)ccc1O
InChIInChI=1S/C17H13N3O2S/c1-22-15-9-11(4-6-14(15)21)12-5-7-17-18-10-13(20(17)19-12)16-3-2-8-23-16/h2-10,21H,1H3
InChIKeyWKNSEHBHHQRSLH-UHFFFAOYSA-N
XLogP3.84
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-Thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11324313
6-(3,4-Dimethoxyphenyl)-3-(4-pyridyl)imidazo[1,2-b]pyridazine
CID 90670243
3-(3,4-Dimethoxy-phenyl)-6-(3-pyridyl)imidazo [1,2-b]pyridazine
CID 90670245
6-Benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 126672987
3-(3,4-Dimethoxy-phenyl)-6-(3-fluorophenyl) imidazo[1,2-b]pyridazine
CID 126673196
2-Methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137001345
S-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethyl-imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl] ethanethioate
CID 151270828
6-Butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11302780
6-Butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11372173
2-[4-(2-Methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
CID 11739416
3-(3,4-Dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid
CID 44526845
2-[4-(2-Ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
CID 56683458

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol?
The IUPAC name of 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol (CID 137001351) is 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol?
The canonical SMILES for 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol is COc1cc(-c2ccc3ncc(-c4cccs4)n3n2)ccc1O.
What is the InChIKey of 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol?
The InChIKey is WKNSEHBHHQRSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-22-15-9-11(4-6-14(15)21)12-5-7-17-18-10-13(20(17)19-12)16-3-2-8-23-16/h2-10,21H,1H3.
What are the key properties of 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol?
2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol has a molecular weight of 323.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenol is sourced from PubChem (CID 137001351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).