| CAS Number | 924232-60-0 |
| Catalog Number | AG019K9M |
| Chemical Name | 6-(5-methylthiophen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C15H15N3O2S/c1-8(2)18-14-11(7-16-18)10(15(19)20)6-12(17-14)13-5-4-9(3)21-13/h4-8H,1-3H3,(H,19,20) |
| InChI Key | JZBKIDOGVSZETR-UHFFFAOYSA-N |
| MDL Number | MFCD08691201 |
| Molecular Formula | C15H15N3O2S |
| Molecular Weight | 301.3635 |
| SMILES | CC(N1C2=C(C(C(O)=O)=CC(C3SC(C)=CC=3)=N2)C=N1)C |
| Synonyms | 6-(5-methylthiophen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
924232-60-0,
1-isopropyl-6-(5-methylthien-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1Q1Q4G,
CTK6C0059,
ZINC9256665,
AKOS033804264,
MCULE-1096162481,
NE13997,
EN300-26088,
Z221429144,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.364g/mol |
| Monoisotopic Mass | 301.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number