5-[7-Cyclopropyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide
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Basic information
- Standard SMILES
CC(CO)(CO)NS(=O)(=O)c1cncc(C#Cc2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1- InChIKey
IQSBUJWPTNMLBI-UHFFFAOYSA-N- Molecular formula
- C27H24F3N5O4S
- Average molar mass
- 571.6 g/mol
Names & identifiers
- Preferred name
- 5-[7-Cyclopropyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide
- IUPAC
- 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide
Names & synonyms
5-[7-Cyclopropyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amideSCHEMBL1349026
Database identifiers
- PubChem CID
- 67001093
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,060
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Related reactions
5 records
Compound notes
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