tert-Butyl 5-methyl-7-(2-oxo-4-(4-(trifluoromethyl)benzyloxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

HCID 57950321
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Basic information

Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)cc5)cc4=O)cc31)CN(C(=O)OC(C)(C)C)CC2
InChIKey
GSCRELYXKDNQTK-UHFFFAOYSA-N
Molecular formula
C30H30F3N3O4
Average molar mass
553.6 g/mol
Monoisotopic mass
553.21884093

Names & identifiers

Preferred name
tert-Butyl 5-methyl-7-(2-oxo-4-(4-(trifluoromethyl)benzyloxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
IUPAC
tert-butyl 5-methyl-7-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]-1-pyridinyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

Names & synonyms

tert-Butyl 5-methyl-7-(2-oxo-4-(4-(trifluoromethyl)benzyloxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylateSCHEMBL12978733

Database identifiers

PubChem CID
57950321

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
64 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
40

Related reactions

4 records
New reaction record

Compound notes

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