| CAS Number | 929975-64-4 |
| Catalog Number | AG019KHC |
| Chemical Name | 1-(1-cyclopropylethyl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate |
| IUPAC Name | [1-(1-cyclopropylethyl)-4-methylpyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate |
| InChI | InChI=1S/C19H21N3O3S/c1-12-4-8-16(9-5-12)26(23,24)25-18-10-13(2)17-11-20-22(19(17)21-18)14(3)15-6-7-15/h4-5,8-11,14-15H,6-7H2,1-3H3 |
| InChI Key | SAJHJTIVNJWMTM-UHFFFAOYSA-N |
| MDL Number | MFCD09040464 |
| Molecular Formula | C19H21N3O3S |
| Molecular Weight | 371.4533 |
| SMILES | CC(N1C2=C(C(=CC(=N2)OS(C2=CC=C(C)C=C2)(=O)=O)C)C=N1)C1CC1 |
| Synonyms | 1-(1-cyclopropylethyl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate,
929975-64-4,
1-(1-cyclopropylethyl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzenesulfonate,
AC1Q1QWG,
CTK6B9283,
AKOS033871176,
MCULE-5626715255,
NE34953,
EN300-26936,
Z235343039,
|
| Complexity | 596 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.455g/mol |
| Monoisotopic Mass | 371.13g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number