| CAS Number | 1017163-11-9 |
| Catalog Number | AG01C6FL(AGN-PC-0WCOBG) |
| Chemical Name | 6-(Tert-Butyl)-1,3-Dimethyl-1H-Pyrazolo[3,4-B]Pyridine-4-Carboxylic Acid |
| IUPAC Name | 6-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C13H17N3O2/c1-7-10-8(12(17)18)6-9(13(2,3)4)14-11(10)16(5)15-7/h6H,1-5H3,(H,17,18) |
| InChI Key | UMAHCAFLDXIFIY-UHFFFAOYSA-N |
| MDL Number | MFCD10002294 |
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.2930 |
| SMILES | CC1=NN(C2=C1C(=CC(=N2)C(C)(C)C)C(=O)O)C |
| Synonyms | 1017163-11-9,
6-(tert-butyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
6-tert-butyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
BBL036280,
STL485504,
ZINC11567273,
AKOS021982672,
AO-022/43513734,
F2185-0023,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.298g/mol |
| Monoisotopic Mass | 247.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number