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Chemical structure of VU0650786

GC34859

VU0650786

Also known as (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

VU0650786 is a potent and selective CNS penetrant negative allosteric modulator of metabotropic glutamate receptor subtype 3 (mGlu3 NAM), with an IC50 of 392 nM

ChemicalCAS1809085-30-0MW387.8FormulaC18H15ClFN5O2
CAS number
1809085-30-0
Molecular weight
387.8
Formula
C18H15ClFN5O2
Solubility
DMSO ： 250 mg/mL (644·66 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
RXRVCJFGSOVYLG-LLVKDONJSA-N
Catalogue number
GC34859
Brand
GLPBIO
Computed properties PubChem CID 122190433 · XLogP 2.4 · TPSA 73.1 Ų · H-bond donors 0
XLogP
2.4
TPSA
73.1 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

SMILES C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)Cl)C4=C(N=CC=C4)F

Computed descriptors from PubChem (CID 122190433), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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