Basic information
- Standard SMILES
Cc1nc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)sc1S(=O)(=O)N1CCC(O)C1- InChIKey
MEEFMLIWAAZEFJ-UHFFFAOYSA-N- Molecular formula
- C23H18F6N6O4S2
- Average molar mass
- 620.6 g/mol
- Monoisotopic mass
- 620.0735144
Names & identifiers
- Preferred name
- 7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [(RS)-5-(3-hydroxy-pyrrolidine-1-sulfonyl)-4-methyl-thiazol-2-yl]-amide
- IUPAC
- N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Names & synonyms
7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [(RS)-5-(3-hydroxy-pyrrolidine-1-sulfonyl)-4-methyl-thiazol-2-yl]-amideSCHEMBL1939225
Database identifiers
- PubChem CID
- 73173264
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
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