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

C17H21N3S — CID 71154376

IUPAC6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine
SMILESCC(C)(C)CCCc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C17H21N3S/c1-17(2,3)9-4-5-14-6-7-16-18-11-15(20(16)19-14)13-8-10-21-12-13/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyOSTBSFKRJLZIPH-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.83
Rot. Bonds4

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

6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine (PubChem CID 71154376) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine
PubChem CID71154376
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine
SMILESCC(C)(C)CCCc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C17H21N3S/c1-17(2,3)9-4-5-14-6-7-16-18-11-15(20(16)19-14)13-8-10-21-12-13/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyOSTBSFKRJLZIPH-UHFFFAOYSA-N
XLogP4.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
US10399985, Example 14
CID 118278105
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549
6-[(2,5-Dimethylphenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190549
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine (CID 71154376) is 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine is CC(C)(C)CCCc1ccc2ncc(-c3ccsc3)n2n1.
What is the InChIKey of 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is OSTBSFKRJLZIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-17(2,3)9-4-5-14-6-7-16-18-11-15(20(16)19-14)13-8-10-21-12-13/h6-8,10-12H,4-5,9H2,1-3H3.
What are the key properties of 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine?
6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 299.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 71154376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).