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

HCID 67001029

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

Related reactions

5 records

Compound notes

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