5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole

C18H20N6S — CID 168979206

IUPAC5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole
SMILESCc1cn2nc(C3=CC4N=C(C5CCNCC5)N=C4S3)cc(C)c2n1
InChIInChI=1S/C18H20N6S/c1-10-7-13(23-24-9-11(2)20-17(10)24)15-8-14-18(25-15)22-16(21-14)12-3-5-19-6-4-12/h7-9,12,14,19H,3-6H2,1-2H3
InChIKeyKOAGYVKJODXEPY-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.61
Rot. Bonds2

About 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole (PubChem CID 168979206) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole.

Molecular Properties

Compound Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole
PubChem CID168979206
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole
SMILESCc1cn2nc(C3=CC4N=C(C5CCNCC5)N=C4S3)cc(C)c2n1
InChIInChI=1S/C18H20N6S/c1-10-7-13(23-24-9-11(2)20-17(10)24)15-8-14-18(25-15)22-16(21-14)12-3-5-19-6-4-12/h7-9,12,14,19H,3-6H2,1-2H3
InChIKeyKOAGYVKJODXEPY-UHFFFAOYSA-N
XLogP2.61
TPSA66.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole
CID 153383702
6-(8-fluoro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593872
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383064
3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
CID 142492391
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;2-methylpropane
CID 170593728
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 165126331
2-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine
CID 166922770
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine
CID 168978407
8-ethyl-6-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylimidazo[1,2-b]pyridazine
CID 170593680
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 165126273
2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
CID 166922997

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole?
The IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole (CID 168979206) is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole.
What is the SMILES notation for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole?
The canonical SMILES for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole is Cc1cn2nc(C3=CC4N=C(C5CCNCC5)N=C4S3)cc(C)c2n1.
What is the InChIKey of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole?
The InChIKey is KOAGYVKJODXEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-10-7-13(23-24-9-11(2)20-17(10)24)15-8-14-18(25-15)22-16(21-14)12-3-5-19-6-4-12/h7-9,12,14,19H,3-6H2,1-2H3.
What are the key properties of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole?
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole has a molecular weight of 352.47 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole is sourced from PubChem (CID 168979206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).