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tert-Butyl 3-(4-((4-((3-(2-methoxy-2-oxoethyl)pyridin-2-yl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate

HCID 71209448
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Basic information

Standard SMILES
COC(=O)Cc1cccnc1C#Cc1nc(Nc2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)ncc1C(F)(F)F
InChIKey
BIQJGVYYVUSOLJ-UHFFFAOYSA-N
Molecular formula
C31H32F3N5O4
Average molar mass
595.6 g/mol

Names & identifiers

Preferred name
tert-Butyl 3-(4-((4-((3-(2-methoxy-2-oxoethyl)pyridin-2-yl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
IUPAC
tert-butyl 3-[4-[[4-[2-[3-(2-methoxy-2-oxoethyl)-2-pyridinyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate

Names & synonyms

tert-Butyl 3-(4-((4-((3-(2-methoxy-2-oxoethyl)pyridin-2-yl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylateSCHEMBL14577339

Database identifiers

PubChem CID
71209448

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
43
Formal charge
0
Complexity
1,010

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Related reactions

4 records
New reaction record
HRID 1473171 reaction equation
HRID 1473171As productuspto-grants-2015_04
HRID 1473172 reaction equation
HRID 1473172As reactantuspto-grants-2015_04
HRID 1485285 reaction equation
HRID 1485285As productuspto-grants-2016_08
HRID 1485286 reaction equation
HRID 1485286As reactantuspto-grants-2016_08

Compound notes

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