5-(4-Chloro-3-methyl-phenyl)-3-[5-(4-methyl-piperazine-1-sulfonyl)-thiophen-2-ylethynyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine

HCID 67001099
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Basic information

Standard SMILES
Cc1cc(-c2cc(C(F)(F)F)n3ncc(C#Cc4ccc(S(=O)(=O)N5CCN(C)CC5)s4)c3n2)ccc1Cl
InChIKey
UYXULGHYICRXJR-UHFFFAOYSA-N
Molecular formula
C25H21ClF3N5O2S2
Average molar mass
580 g/mol

Names & identifiers

Preferred name
5-(4-Chloro-3-methyl-phenyl)-3-[5-(4-methyl-piperazine-1-sulfonyl)-thiophen-2-ylethynyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine
IUPAC
5-(4-chloro-3-methylphenyl)-3-[2-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]ethynyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Names & synonyms

5-(4-Chloro-3-methyl-phenyl)-3-[5-(4-methyl-piperazine-1-sulfonyl)-thiophen-2-ylethynyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidineSCHEMBL1349043

Database identifiers

PubChem CID
67001099

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
107 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
38

Related reactions

5 records
New reaction record

Compound notes

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