tert-Butyl 4-(4-((4-((2-(1-methoxy-1-oxopropan-2-yl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate

HCID 71209054
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Basic information

Standard SMILES
COC(=O)C(C)c1ccccc1C#Cc1nc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)F
InChIKey
RGQMURUVLCZMNA-UHFFFAOYSA-N
Molecular formula
C33H35F3N4O4
Average molar mass
608.6 g/mol
Monoisotopic mass
608.2610401

Names & identifiers

Preferred name
tert-Butyl 4-(4-((4-((2-(1-methoxy-1-oxopropan-2-yl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[4-[[4-[2-[2-(1-methoxy-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate

Names & synonyms

tert-Butyl 4-(4-((4-((2-(1-methoxy-1-oxopropan-2-yl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylateSCHEMBL14576553

Database identifiers

PubChem CID
71209054

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
93.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
44

Related reactions

3 records
New reaction record

Compound notes

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