Home Other Building Blocks 3-{2,4,6-trimethyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid

3-{2,4,6-trimethyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid

CAS No.:
1258641-48-3
Catalog Number:
AG01AAPS
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
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Product Description
Catalog Number:
AG01AAPS
Chemical Name:
3-{2,4,6-trimethyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid
CAS Number:
1258641-48-3
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD17480382
IUPAC Name:
3-(2,4,6-trimethyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid
InChI:
InChI=1S/C12H15N3O3/c1-6-8(4-5-9(16)17)7(2)13-11-10(6)12(18)15(3)14-11/h4-5H2,1-3H3,(H,13,14)(H,16,17)
InChI Key:
CAVSUYLQVHMSQU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)nc2c(c1C)c(=O)n([nH]2)C
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties