Home Carboxys 1-tert-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

1-tert-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

CAS No.:
1118787-47-5
Catalog Number:
AG019UEG
Molecular Formula:
C15H19N3O2
Molecular Weight:
273.3303
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Product Description
Catalog Number:
AG019UEG
Chemical Name:
1-tert-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CAS Number:
1118787-47-5
Molecular Formula:
C15H19N3O2
Molecular Weight:
273.3303
MDL Number:
MFCD11839859
IUPAC Name:
1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C15H19N3O2/c1-8-12-10(14(19)20)7-11(9-5-6-9)16-13(12)18(17-8)15(2,3)4/h7,9H,5-6H2,1-4H3,(H,19,20)
InChI Key:
ICILRPWQMYTXTM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1c(C)nn2C(C)(C)C)C1CC1
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.148g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.336g/mol
Monoisotopic Mass:
273.148g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties