5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide
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Basic information
- Standard SMILES
O=S(=O)(c1ccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)s1)N(CCO)CCO- InChIKey
RUVZGPJDCCCDNO-UHFFFAOYSA-N- Molecular formula
- C24H19F5N4O4S2
- Average molar mass
- 586.6 g/mol
Names & identifiers
- Preferred name
- 5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide
- IUPAC
- 5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide
Names & synonyms
5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amideSCHEMBL1349010
Database identifiers
- PubChem CID
- 67001088
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 988
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Related reactions
5 records
Compound notes
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