JNJ-42153605

Description: JNJ-42153605 is a potent and selective mGlu2 receptor positive allosteric modulator with an EC50 of 17 nM.

• Catalog: OFC1254977871
• CAS: 1254977-87-1
• Category: Fluorinated APIs
• Synonyms: 3-(Cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• Purity: >98%

• IUPAC Name: 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• InChI: InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
• InChI Key: BQAVZGJJQFJSMW-UHFFFAOYSA-N
• Isomeric SMILES: C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)N4CCC(CC4)C5=CC=CC=C5

• Molecular Formula: C22H23F3N4
• Molecular Weight: 400.45
• Appearance: White to off-white solid powder

• XLogP3-AA: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 400.18748124 g/mol
• Monoisotopic Mass: 400.18748124 g/mol
• Topological Polar Surface Area: 33.4Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 553