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

C19H22N8OS — CID 170553646

IUPAC7-(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
SMILESCc1cn2nc(-c3cc(=O)n4nc(N5C[C@@H](C)N[C@@H](C)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C19H22N8OS/c1-10-5-15(23-26-9-13(4)21-17(10)26)14-6-16(28)27-18(22-14)29-19(24-27)25-7-11(2)20-12(3)8-25/h5-6,9,11-12,20H,7-8H2,1-4H3/t11-,12+
InChIKeyVWUCTEQWYSTSAV-TXEJJXNPSA-N
MW410.51 g/mol
LogP1.66
Rot. Bonds2

About 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

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 (PubChem CID 170553646) has the molecular formula C19H22N8OS and a molecular weight of 410.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID170553646
Molecular FormulaC19H22N8OS
Molecular Weight410.51 g/mol
Exact Mass410.16
IUPAC Name7-(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
SMILESCc1cn2nc(-c3cc(=O)n4nc(N5C[C@@H](C)N[C@@H](C)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C19H22N8OS/c1-10-5-15(23-26-9-13(4)21-17(10)26)14-6-16(28)27-18(22-14)29-19(24-27)25-7-11(2)20-12(3)8-25/h5-6,9,11-12,20H,7-8H2,1-4H3/t11-,12+
InChIKeyVWUCTEQWYSTSAV-TXEJJXNPSA-N
XLogP1.66
TPSA92.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,5-dimethylpiperazin-1-yl)-4-fluoro-1,3-benzothiazole;hydrochloride
CID 153383443
7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 129143853
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
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
2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinazoline
CID 177078818
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 (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
4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
CID 142511473
2-(azepan-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147073
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2nc(-c3cc(=O)n4nc(N5C[C@@H](C)N[C@@H](C)C5)sc4n3)cc(C)c2n1.
What is the InChIKey of 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?
The InChIKey is VWUCTEQWYSTSAV-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H22N8OS/c1-10-5-15(23-26-9-13(4)21-17(10)26)14-6-16(28)27-18(22-14)29-19(24-27)25-7-11(2)20-12(3)8-25/h5-6,9,11-12,20H,7-8H2,1-4H3/t11-,12+.
What are the key properties of 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?
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 has a molecular weight of 410.51 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170553646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).