tert-Butyl 4-(4-((4-((3-carbamoyl-4-methylphenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylate

HCID 71209810
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Basic information

Standard SMILES
Cc1ccc(C#Cc2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ncc2C(F)(F)F)cc1C(N)=O
InChIKey
DCANERVELCJROD-UHFFFAOYSA-N
Molecular formula
C30H31F3N6O3
Average molar mass
580.6 g/mol
Monoisotopic mass
580.24097336

Names & identifiers

Preferred name
tert-Butyl 4-(4-((4-((3-carbamoyl-4-methylphenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[4-[[4-[2-(3-carbamoyl-4-methylphenyl)ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate

Names & synonyms

tert-Butyl 4-(4-((4-((3-carbamoyl-4-methylphenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylateSCHEMBL14580453

Database identifiers

PubChem CID
71209810

Properties

Computed structural properties

XLogP
5
Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
42

Related reactions

2 records
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Compound notes

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