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Gne-9605

CAS No.:
1536200-31-3
Catalog Number:
AG00ABK9
Molecular Formula:
C17H20ClF4N7O
Molecular Weight:
449.8336
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$210
- +
10mg
99%
1 week
United States
$335
- +
50mg
99%
1 week
United States
$1098
- +
100mg
99%
1 week
United States
$1932
- +
Product Description
Catalog Number:
AG00ABK9
Chemical Name:
Gne-9605
CAS Number:
1536200-31-3
Molecular Formula:
C17H20ClF4N7O
Molecular Weight:
449.8336
MDL Number:
MFCD28167997
IUPAC Name:
2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1
InChI Key:
PUXPEQJKNAWNQA-AAEUAGOBSA-N
SMILES:
CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)[C@H]1CCN(C[C@@H]1F)C1COC1
Properties
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
449.135g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
449.839g/mol
Monoisotopic Mass:
449.135g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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