7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H23N7OS — CID 170553836

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C)(C)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C20H23N7OS/c1-12-7-15(24-27-9-13(2)22-18(12)27)14-8-16(28)26-10-17(29-19(26)23-14)25-6-5-21-20(3,4)11-25/h7-10,21H,5-6,11H2,1-4H3
InChIKeyDDJOAXUMZDJXFS-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.27
Rot. Bonds2

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 170553836) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID170553836
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C)(C)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C20H23N7OS/c1-12-7-15(24-27-9-13(2)22-18(12)27)14-8-16(28)26-10-17(29-19(26)23-14)25-6-5-21-20(3,4)11-25/h7-10,21H,5-6,11H2,1-4H3
InChIKeyDDJOAXUMZDJXFS-UHFFFAOYSA-N
XLogP2.27
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 118513934
tert-butyl 2-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 165126312
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888815
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
7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(3,3-dimethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 157379211
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 170553646
tert-butyl (3S,4R)-4-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl]-3-fluoropiperidine-1-carboxylate
CID 170553818
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-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine
CID 67145630
2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 165126294
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888579
7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 170553865

Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 170553836) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C)(C)C5)sc4n3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DDJOAXUMZDJXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-12-7-15(24-27-9-13(2)22-18(12)27)14-8-16(28)26-10-17(29-19(26)23-14)25-6-5-21-20(3,4)11-25/h7-10,21H,5-6,11H2,1-4H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 409.52 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,3-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 170553836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).