5-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

HCID 67001063

Basic information

Standard SMILES
CC(CO)(CO)NS(=O)(=O)c1cncc(C#Cc2cnn3c(C4CC4)cc(-c4ccc(Cl)cc4)nc23)c1
InChIKey
XYQRNKICLQDCKT-UHFFFAOYSA-N
Molecular formula
C26H24ClN5O4S
Average molar mass
538 g/mol

Names & identifiers

Preferred name
5-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide
IUPAC
5-[2-[5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide

Names & synonyms

SCHEMBL1348942XYQRNKICLQDCKT-UHFFFAOYSA-N5-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

Database identifiers

PubChem CID
67001063

Properties

Computed structural properties

XLogP
2
Topological polar surface area
138 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
37

Related reactions

5 records

Compound notes

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