5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide

HCID 67000751
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Basic information

Standard SMILES
O=S(=O)(NC(CO)CO)c1ccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)s1
InChIKey
LIVNSBBICHZECR-UHFFFAOYSA-N
Molecular formula
C23H17F5N4O4S2
Average molar mass
572.5 g/mol
Monoisotopic mass
572.06113819

Names & identifiers

Preferred name
5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide
IUPAC
5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide

Names & synonyms

5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amideSCHEMBL1348085

Database identifiers

PubChem CID
67000751

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
153 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
13
Rotatable bonds
9
Heavy atoms
38

Related reactions

5 records
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Compound notes

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