Home Halogens (5-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)(4-(3-(trifluoroMethyl)phenyl)piperazin-1-yl)Methanone

(5-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)(4-(3-(trifluoroMethyl)phenyl)piperazin-1-yl)Methanone

CAS No.:
1072874-79-3
Catalog Number:
AG0093ZF
Molecular Formula:
C23H18ClF3N6O
Molecular Weight:
486.8768
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Product Description
Catalog Number:
AG0093ZF
Chemical Name:
(5-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)(4-(3-(trifluoroMethyl)phenyl)piperazin-1-yl)Methanone
CAS Number:
1072874-79-3
Molecular Formula:
C23H18ClF3N6O
Molecular Weight:
486.8768
MDL Number:
MFCD21603903
IUPAC Name:
[5-(4-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
InChI:
InChI=1S/C23H18ClF3N6O/c24-17-6-4-15(5-7-17)19-8-9-20-21(28-19)33(30-29-20)22(34)32-12-10-31(11-13-32)18-3-1-2-16(14-18)23(25,26)27/h1-9,14H,10-13H2
InChI Key:
GQZISVAEKVEVFV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc2c(n1)n(nn2)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
713  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.118g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.883g/mol
Monoisotopic Mass:
486.118g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
The discovery and development of inhibitors of fatty acid amide hydrolase (FAAH). Bioorganic & medicinal chemistry letters 20110815
Properties