Basic information
- Standard SMILES
CC(C)(CO)NS(=O)(=O)c1ccc(C#Cc2cnn3c(C(F)F)cc(-c4cccc(C(F)(F)F)c4)nc23)s1- InChIKey
ZIHSUTXGRBNVPR-UHFFFAOYSA-N- Molecular formula
- C24H19F5N4O3S2
- Average molar mass
- 570.6 g/mol
Names & identifiers
- Preferred name
- 5-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
- IUPAC
- 5-[2-[7-(difluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
Names & synonyms
5-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amideSCHEMBL1348820
Database identifiers
- PubChem CID
- 67001029
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
5 records
Compound notes
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