Home Other Building Blocks 3-{1,3,4-trimethyl-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid

3-{1,3,4-trimethyl-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid

CAS No.:
1049605-66-4
Catalog Number:
AG019M10
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
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Product Description
Catalog Number:
AG019M10
Chemical Name:
3-{1,3,4-trimethyl-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid
CAS Number:
1049605-66-4
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD10666940
IUPAC Name:
3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid
InChI:
InChI=1S/C12H15N3O3/c1-6-8(4-5-9(16)17)12(18)13-11-10(6)7(2)14-15(11)3/h4-5H2,1-3H3,(H,13,18)(H,16,17)
InChI Key:
XFIPPMPURUKLOE-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(=O)[nH]c2c(c1C)c(C)nn2C
Properties
Complexity:
419  
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:
4  
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:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties