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Gne-0877

CAS No.:
1374828-69-9
Catalog Number:
AG009BPM
Molecular Formula:
C14H16F3N7
Molecular Weight:
339.3189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$169
- +
2mg
98%
1 week
United States
$182
- +
5mg
98%
1 week
United States
$307
- +
10mg
98%
1 week
United States
$446
- +
25mg
98%
1 week
United States
$862
- +
50mg
98%
1 week
United States
$1418
- +
Product Description
Catalog Number:
AG009BPM
Chemical Name:
Gne-0877
CAS Number:
1374828-69-9
Molecular Formula:
C14H16F3N7
Molecular Weight:
339.3189
MDL Number:
MFCD28098661
IUPAC Name:
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
InChI:
InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
InChI Key:
ZPPUMAMZIMPJGP-UHFFFAOYSA-N
SMILES:
N#CC(n1nc(c(c1)Nc1ncc(c(n1)NC)C(F)(F)F)C)(C)C
UNII:
ANGHS285FG
Properties
Complexity:
487  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.142g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
339.326g/mol
Monoisotopic Mass:
339.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Discovery of highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors. Journal of medicinal chemistry 20140213
Properties