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Home Fluorides 1254977-87-1
1254977-87-1,MFCD22199231
Catalog No.:AA00A0G3

1254977-87-1 | 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine

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1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
98%
in stock  
$113.00   $79.00
- +
10mg
98%
in stock  
$221.00   $155.00
- +
50mg
98% by HPLC
in stock  
$1,040.00   $728.00
- +
100mg
98% by HPLC
in stock  
$1,752.00   $1,227.00
- +
500mg
98% by HPLC
in stock  
$5,515.00   $3,861.00
- +
1000mg
98% by HPLC
in stock  
$8,787.00   $6,151.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00A0G3
Chemical Name:
3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine
CAS Number:
1254977-87-1
Molecular Formula:
C22H23F3N4
Molecular Weight:
400.4400
MDL Number:
MFCD22199231
SMILES:
FC(c1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1)(F)F
Properties
Computed Properties
 
Complexity:
553  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
4  
XLogP3:
5.8  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2012,vol.55,p.8770-8789

[2]Patent:WO2010/130424,2010,A1.Locationinpatent:Page/Pagecolumn149

1254977-87-1   
3-(cyclopropylmethyl)-7-(4-phenyl-1-piperidinyl)-8-(trifluoromethyl)-1,2,4-triazolo4,3-apyridinehydrochloride 

[1]Patent:WO2010/130424,2010,A1.Locationinpatent:Page/Pagecolumn149

[1]JournalofMedicinalChemistry,2012,vol.55,p.8770-8789

[1]JournalofMedicinalChemistry,2012,vol.55,p.8770-8789

[1]JournalofMedicinalChemistry,2012,vol.55,p.8770-8789

Literature

Title: Discovery of 3-cyclopropylmethyl-7-(4-phenylpiperidin-1-yl)-8-trifluoromethyl[1,2,4]triazolo[4,3-a]pyridine (JNJ-42153605): a positive allosteric modulator of the metabotropic glutamate 2 receptor.

Journal: Journal of medicinal chemistry 20121025

Title: Microcalorimetric study of the anaerobic growth of Escherichia coli: growth thermograms in a synthetic medium.

Journal: Journal of bacteriology 19760101

Title: Cid JM, et al. Discovery of 3-cyclopropylmethyl-7-(4-phenylpiperidin-1-yl)-8-trifluoromethyl,2,4triazolo,3-apyridine (JNJ-42153605): a positive allosteric modulator of the metabotropic glutamate 2 receptor. J Med Chem. 2012 Oct 25;55(20):8770-89.

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Tags:1254977-87-1 Molecular Formula|1254977-87-1 MDL|1254977-87-1 SMILES|1254977-87-1 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine