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MGluR2 modulator 5

CAT: 0013-GTR19238807-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238807-02Size:50 mg
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Description
Compound 11 is a potent, orally active, and brain-penetrant negative allosteric modulator of mGluR2 (IC50 = 8.9 nM) . It is a valuable research tool for investigating cognitive and neurological functions in mood disorders through in vitro and in vivo experimental models.
CAS Number
1639898-35-3
Field of Research
Neuroscience
Smiles
O=C1C2=C (C=NN2[C@@H] (C) CN1C3=CC=C (C (F) (F) F) C=C3) C=4C=C (C) N=CC4
Molecular Formula
C20H17F3N4O
Molecular Weight
386.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(7S)-7-methyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CAS Number1639898-35-3
PubChem CID117824335
IUPAC Name(7S)-7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Molecular FormulaC20H17F3N4O
Molecular Weight386.4
XLogP3.5
Topological Polar Surface Area51
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity578
SMILES
C[C@H]1CN(C(=O)C2=C(C=NN12)C3=CC(=NC=C3)C)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H17F3N4O/c1-12-9-14(7-8-24-12)17-10-25-27-13(2)11-26(19(28)18(17)27)16-5-3-15(4-6-16)20(21,22)23/h3-10,13H,11H2,1-2H3/t13-/m0/s1
InChIKey
GOYOLHWWQMGLGG-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (7S)-7-methyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CAS: 1639898-35-3
CID: 117824335
Formula: C20H17F3N4O
MW: 386.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass386.13544566
Monoisotopic Mass386.13544566
Topological Polar Surface Area51 Ų
Heavy Atom Count28
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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