(5-Butyl-1-(5-methyl-4-(thiophen-2-yl)pyrimidin-2-yl)-1H-pyrazol-4-yl)(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCc1c(C(=O)N2CCn3cnnc3C2)cnn1-c1ncc(C)c(-c2cccs2)n1- InChIKey
GFWAAZFDVKSTRR-UHFFFAOYSA-N- Molecular formula
- C22H24N8OS
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.17937859
Names & identifiers
- Preferred name
- (5-Butyl-1-(5-methyl-4-(thiophen-2-yl)pyrimidin-2-yl)-1H-pyrazol-4-yl)(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
- IUPAC
- [5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
Names & synonyms
SCHEMBL2392886GFWAAZFDVKSTRR-UHFFFAOYSA-N(5-Butyl-1-(5-methyl-4-(thiophen-2-yl)pyrimidin-2-yl)-1H-pyrazol-4-yl)(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
Database identifiers
- PubChem CID
- 67390453
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 655
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Related reactions
1 records
Compound notes
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