N-[(3R)-3-(2-Chloro-5-fluorophenyl)-6-(5-cyano[1,2,4]triazolo[1,5-a]pyridin-6...
C29H14ClF5N6O2
2733573-94-7 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
2733573-94-7

> <ca.index.name>
Benzamide, N-[(3R)-3-(2-chloro-5-fluorophenyl)-6-(5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)-

> <molecular.formula>
C29H14ClF5N6O2

> <smiles.canonical>
N#CC1=C(C=CC2=NC=NN21)C=3C=C(NC(=O)C4=CC(F)=CC(=C4)C(F)(F)F)C5=C(C3)C(=O)NC5C6=CC(F)=CC=C6Cl

> <smiles.isomeric>
N(C(=O)C1=CC(C(F)(F)F)=CC(F)=C1)C2=C3[C@@H](NC(=O)C3=CC(=C2)C4=C(C#N)N5C(C=C4)=NC=N5)C6=C(Cl)C=CC(F)=C6

> <molecular.weight>
608.91

> <density.predicted>
1.613±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.064±0.40    Most Acidic Temp: 25 °C

$$$$
