tert-Butyl 1-(4-(4-((2-(1-carbamoylcyclopropyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-ylamino)phenyl)ethylcarbamate

HCID 86712349
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Basic information

Standard SMILES
CC(NC(=O)OC(C)(C)C)c1ccc(Nc2ncc(C(F)(F)F)c(C#Cc3ccccc3C3(C(N)=O)CC3)n2)cc1
InChIKey
OIJIBGCFKSWSIX-UHFFFAOYSA-N
Molecular formula
C30H30F3N5O3
Average molar mass
565.6 g/mol
Monoisotopic mass
565.23007432

Names & identifiers

Preferred name
tert-Butyl 1-(4-(4-((2-(1-carbamoylcyclopropyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-ylamino)phenyl)ethylcarbamate
IUPAC
tert-butyl N-[1-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]ethyl]carbamate

Names & synonyms

tert-Butyl 1-(4-(4-((2-(1-carbamoylcyclopropyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-ylamino)phenyl)ethylcarbamateSCHEMBL15506743

Database identifiers

PubChem CID
86712349

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
41

Related reactions

2 records
New reaction record

Compound notes

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