7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C22H26N6OS — CID 156888704

IUPAC7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCn1cc2cc(-c3cc(=O)n4nc(C5CC(C)(C)NC(C)(C)C5)sc4n3)ccc2n1
InChIInChI=1S/C22H26N6OS/c1-21(2)10-15(11-22(3,4)26-21)19-25-28-18(29)9-17(23-20(28)30-19)13-6-7-16-14(8-13)12-27(5)24-16/h6-9,12,15,26H,10-11H2,1-5H3
InChIKeyBUYFKEKFRNOGFE-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.73
Rot. Bonds2

About 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 156888704) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID156888704
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCn1cc2cc(-c3cc(=O)n4nc(C5CC(C)(C)NC(C)(C)C5)sc4n3)ccc2n1
InChIInChI=1S/C22H26N6OS/c1-21(2)10-15(11-22(3,4)26-21)19-25-28-18(29)9-17(23-20(28)30-19)13-6-7-16-14(8-13)12-27(5)24-16/h6-9,12,15,26H,10-11H2,1-5H3
InChIKeyBUYFKEKFRNOGFE-UHFFFAOYSA-N
XLogP3.73
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one
CID 156889280
7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888571
N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 152719069
9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 146586235
9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 175920486
7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one
CID 137374063
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 156888108
6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
CID 153383264
9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 175561640
5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888736
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888103
[5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol
CID 151597822

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 156888704) is 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cn1cc2cc(-c3cc(=O)n4nc(C5CC(C)(C)NC(C)(C)C5)sc4n3)ccc2n1.
What is the InChIKey of 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BUYFKEKFRNOGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-21(2)10-15(11-22(3,4)26-21)19-25-28-18(29)9-17(23-20(28)30-19)13-6-7-16-14(8-13)12-27(5)24-16/h6-9,12,15,26H,10-11H2,1-5H3.
What are the key properties of 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 422.56 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 156888704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).