5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole

C17H19N7S — CID 153383702

IUPAC5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole
SMILESCc1cn2nc(-c3nc4sc(C5CCNCC5)nc4[nH]3)cc(C)c2n1
InChIInChI=1S/C17H19N7S/c1-9-7-12(23-24-8-10(2)19-15(9)24)13-20-14-17(21-13)25-16(22-14)11-3-5-18-6-4-11/h7-8,11,18H,3-6H2,1-2H3,(H,20,21)
InChIKeyTVWHJIFKWSYOQN-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.81
Rot. Bonds2

About 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole (PubChem CID 153383702) has the molecular formula C17H19N7S and a molecular weight of 353.46 g/mol. Its IUPAC name is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole.

Molecular Properties

Compound Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole
PubChem CID153383702
Molecular FormulaC17H19N7S
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole
SMILESCc1cn2nc(-c3nc4sc(C5CCNCC5)nc4[nH]3)cc(C)c2n1
InChIInChI=1S/C17H19N7S/c1-9-7-12(23-24-8-10(2)19-15(9)24)13-20-14-17(21-13)25-16(22-14)11-3-5-18-6-4-11/h7-8,11,18H,3-6H2,1-2H3,(H,20,21)
InChIKeyTVWHJIFKWSYOQN-UHFFFAOYSA-N
XLogP2.81
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383064
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
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole
CID 168979206
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
6-(8-fluoro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593872
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine
CID 168978407
2-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine
CID 166922770
6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-N,N,2-trimethylimidazo[1,2-b]pyridazin-8-amine;hydrochloride
CID 153383206
methyl 2-[6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]acetate;hydrochloride
CID 153383568
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
8-ethyl-6-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylimidazo[1,2-b]pyridazine
CID 170593680

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole?
The IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole (CID 153383702) is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole.
What is the SMILES notation for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole?
The canonical SMILES for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole is Cc1cn2nc(-c3nc4sc(C5CCNCC5)nc4[nH]3)cc(C)c2n1.
What is the InChIKey of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole?
The InChIKey is TVWHJIFKWSYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7S/c1-9-7-12(23-24-8-10(2)19-15(9)24)13-20-14-17(21-13)25-16(22-14)11-3-5-18-6-4-11/h7-8,11,18H,3-6H2,1-2H3,(H,20,21).
What are the key properties of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole?
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole has a molecular weight of 353.46 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 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-4H-imidazo[4,5-d][1,3]thiazole is sourced from PubChem (CID 153383702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).