Home Aminos N-(5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamide

N-(5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamide

CAS No.:
1124381-43-6
Catalog Number:
AG0096S2
Molecular Formula:
C16H13F3N6O
Molecular Weight:
362.3092
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Product Description
Catalog Number:
AG0096S2
Chemical Name:
N-(5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamide
CAS Number:
1124381-43-6
Molecular Formula:
C16H13F3N6O
Molecular Weight:
362.3092
MDL Number:
MFCD30182335
IUPAC Name:
N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
InChI:
InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)
InChI Key:
XUKGFHHTSUKORV-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)Nc1nn2c(n1)cc(cc2NC1CC1)C(F)(F)F
Properties
Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.11g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
362.316g/mol
Monoisotopic Mass:
362.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Regulation of the severity of neuroinflammation and demyelination by TLR-ASK1-p38 pathway. EMBO molecular medicine 20101201
Properties