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Home Other Building Blocks 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine

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

CAS No.:
1254977-87-1
Catalog Number:
AG00A0IV
Molecular Formula:
C22H23F3N4
Molecular Weight:
400.4400
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
≥98%
1 week
United States
$239
- +
10mg
≥98%
1 week
United States
$379
- +
25mg
≥98%
1 week
United States
$762
- +
50mg
99%
1 week
United States
$1157
- +
100mg
99%
1 week
United States
$1640
- +
Product Description
Catalog Number:
AG00A0IV
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
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
SMILES:
FC(c1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1)(F)F
Properties
Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.187g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.449g/mol
Monoisotopic Mass:
400.187g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Literature
Title Journal
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 of medicinal chemistry 20121025
Microcalorimetric study of the anaerobic growth of Escherichia coli: growth thermograms in a synthetic medium. Journal of bacteriology 19760101
Properties