| CAS Number | 924404-98-8 |
| Catalog Number | AG019K4I |
| Chemical Name | 6-(2,5-dimethylthiophen-3-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C16H17N3O2S/c1-8(2)19-15-13(7-17-19)12(16(20)21)6-14(18-15)11-5-9(3)22-10(11)4/h5-8H,1-4H3,(H,20,21) |
| InChI Key | MNCMXNMCWCOWST-UHFFFAOYSA-N |
| MDL Number | MFCD08691115 |
| Molecular Formula | C16H17N3O2S |
| Molecular Weight | 315.3901 |
| SMILES | CC(N1C2=C(C(C(O)=O)=CC(C3=C(C)SC(C)=C3)=N2)C=N1)C |
| Synonyms | 6-(2,5-dimethylthiophen-3-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
924404-98-8,
6-(2,5-dimethylthien-3-yl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1Q1Q4E,
CTK6C5800,
ZINC9256651,
AKOS034450259,
MCULE-8276126853,
NE35504,
EN300-25507,
AB00760222-01,
Z56643746,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.391g/mol |
| Monoisotopic Mass | 315.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number