| CAS Number | 940271-62-5 |
| Catalog Number | AG019KOT |
| Chemical Name | 6-methyl-1-[(thiophen-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C13H11N3O2S/c1-8-5-10(13(17)18)11-6-14-16(12(11)15-8)7-9-3-2-4-19-9/h2-6H,7H2,1H3,(H,17,18) |
| InChI Key | YFRLWLAEMJSVAD-UHFFFAOYSA-N |
| MDL Number | MFCD09389745 |
| Molecular Formula | C13H11N3O2S |
| Molecular Weight | 273.3103 |
| SMILES | CC1=NC2=C(C=NN2CC2SC=CC=2)C(C(O)=O)=C1 |
| Synonyms | 6-methyl-1-(thiophen-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
940271-62-5,
6-methyl-1-(thien-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
CTK6B4315,
ZINC12505659,
AKOS023166424,
MCULE-2990113781,
NE40579,
EN300-27813,
AB00775273-01,
Z235346989,
6-methyl-1-[(thiophen-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1Q2P9S,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.057198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.31g/mol |
| Monoisotopic Mass | 273.057198g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number