Home Carboxys 2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester

2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester

CAS No.:
518990-56-2
Catalog Number:
AG00DJSU
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$250
- +
5g
97%
In Stock USA
United States
$782
- +
10g
97%
In Stock USA
United States
$1244
- +
Product Description
Catalog Number:
AG00DJSU
Chemical Name:
2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester
CAS Number:
518990-56-2
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
MDL Number:
MFCD10697132
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-4-8-7(6-15)9(10(16)17)14-13-8/h4-6H2,1-3H3,(H,13,14)(H,16,17)
InChI Key:
TXBGWGXWHAVLKK-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c([nH]n2)C(=O)O)OC(C)(C)C
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nature chemical biology 20151101
Properties