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Chemical structure of Decoglurant

GC39567

Decoglurant

Also known as 5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine

Decoglurant (RO4995819) is a negative allosteric modulator of mGluR2 and mGluR3

ChemicalCAS911115-16-7MW447.34FormulaC21H11F6N5
CAS number
911115-16-7
Molecular weight
447.34
Formula
C21H11F6N5
Solubility
DMSO： 250 mg/mL (558·86 mM)
InChIKey
DMJHZVARRXJSEG-UHFFFAOYSA-N
Catalogue number
GC39567
Brand
GLPBIO
Computed properties PubChem CID 71533696 · XLogP 4.4 · TPSA 69.1 Ų · H-bond donors 1
XLogP
4.4
TPSA
69.1 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
32

SMILES C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#CC4=CN=C(C=C4)N)C(F)(F)F

Computed descriptors from PubChem (CID 71533696), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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