(R)-N-(1-(5-bromo-2-(methylthio)pyrimidin-4-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide

HCID 90281265

Basic information

Standard SMILES
CSc1ncc(Br)c([C@@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIKey
PHDBJPBVDGPCGE-QGZVFWFLSA-N
Molecular formula
C23H21BrF5N5OS
Average molar mass
590.4 g/mol

Names & identifiers

Preferred name
(R)-N-(1-(5-bromo-2-(methylthio)pyrimidin-4-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
IUPAC
N-[(1R)-1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

Names & synonyms

(R)-N-(1-(5-bromo-2-(methylthio)pyrimidin-4-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamideSCHEMBL15875227

Database identifiers

PubChem CID
90281265

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
98 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
36

Related reactions

4 records

Compound notes

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