| CAS Number | 1396779-52-4 |
| Catalog Number | AG019F08 |
| Chemical Name | ethyl 1-(propan-2-yl)-6-(trifluoromethanesulfonyloxy)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate |
| IUPAC Name | ethyl 1-propan-2-yl-6-(trifluoromethylsulfonyloxy)pyrazolo[3,4-b]pyridine-4-carboxylate |
| InChI | InChI=1S/C13H14F3N3O5S/c1-4-23-12(20)8-5-10(24-25(21,22)13(14,15)16)18-11-9(8)6-17-19(11)7(2)3/h5-7H,4H2,1-3H3 |
| InChI Key | FVYDKSXKYBLGPR-UHFFFAOYSA-N |
| MDL Number | MFCD31692226 |
| Molecular Formula | C13H14F3N3O5S |
| Molecular Weight | 381.3276 |
| SMILES | CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)nc2n(ncc12)C(C)C |
| Synonyms | ethyl 1-isopropyl-6-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate,
1396779-52-4,
SCHEMBL12499855,
FVYDKSXKYBLGPR-UHFFFAOYSA-N,
CS-0059970,
ethyl 1-isopropyl-6-(trifluoromethylsulfonyloxy)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate,
|
| Complexity | 593 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.326g/mol |
| Monoisotopic Mass | 381.061g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number