Home Carboxys 5-tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate

5-tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate

CAS No.:
518990-23-3
Catalog Number:
AG00D813
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$175
- +
5g
95%
In Stock USA
United States
$625
- +
10g
95%
In Stock USA
United States
$1063
- +
Product Description
Catalog Number:
AG00D813
Chemical Name:
5-tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
CAS Number:
518990-23-3
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
MDL Number:
MFCD12028385
IUPAC Name:
5-O-tert-butyl 3-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylate
InChI:
InChI=1S/C14H21N3O4/c1-5-20-12(18)11-9-8-17(7-6-10(9)15-16-11)13(19)21-14(2,3)4/h5-8H2,1-4H3,(H,15,16)
InChI Key:
XLEGNBXLLFAJCK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.339g/mol
Monoisotopic Mass:
295.153g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nature chemical biology 20151101
Properties