| CAS Number | 1118788-02-5 |
| Catalog Number | AG019UI5 |
| Chemical Name | 1-tert-butyl-3-methyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C15H21N3O2/c1-8(2)11-7-10(14(19)20)12-9(3)17-18(13(12)16-11)15(4,5)6/h7-8H,1-6H3,(H,19,20) |
| InChI Key | CPSDZXOHHDEEHZ-UHFFFAOYSA-N |
| MDL Number | MFCD11840106 |
| Molecular Formula | C15H21N3O2 |
| Molecular Weight | 275.3461 |
| SMILES | CC(C1=NC2=C(C(=NN2C(C)(C)C)C)C(C(O)=O)=C1)C |
| Synonyms | 1-tert-butyl-3-methyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
1118788-02-5,
AC1Q1OXD,
CTK6A4563,
ZINC32628172,
AKOS034314864,
MCULE-8430121368,
NE35146,
EN300-41752,
AB01000135-01,
Z425484930,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.352g/mol |
| Monoisotopic Mass | 275.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number