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JNJ-46356479

CAT: 0013-GTR19197400-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197400-02Size:50 mg
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Description
JNJ-46356479 is a selective, orally bioavailable positive allosteric modulator (PAM) of the mGlu2 receptor, exhibiting an EC50 of 78 nM and an Emax of 256%. This compound is a valuable research tool for investigating mGlu2 receptor function in neuropsychiatric disorders, applicable in both in vitro assays and in vivo preclinical models.
CAS Number
1254979-66-2
Field of Research
Neuroscience
Smiles
C (F) (F) (F) C=1C=2N (C (CC3CC3) =NN2) C=CC1CN4CCN (CC4) C5=C (F) C=C (F) C=C5
Molecular Formula
C22H22F5N5
Molecular Weight
451.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Cyclopropylmethyl)-7-((4-(2,4-difluorophenyl)piperazin-1-yl)methyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CAS Number1254979-66-2
PubChem CID49822116
IUPAC Name3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Molecular FormulaC22H22F5N5
Molecular Weight451.4
XLogP5.1
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity639
SMILES
C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)CN4CCN(CC4)C5=C(C=C(C=C5)F)F
InChI
InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
InChIKey
BNJUYVSEWGRELC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Cyclopropylmethyl)-7-((4-(2,4-difluorophenyl)piperazin-1-yl)methyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CAS: 1254979-66-2
CID: 49822116
Formula: C22H22F5N5
MW: 451.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.4
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass451.17953653
Monoisotopic Mass451.17953653
Topological Polar Surface Area36.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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