| CAS Number | 929975-59-7 |
| Catalog Number | AG019KH7 |
| Chemical Name | 1-cyclopentyl-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate |
| IUPAC Name | (1-cyclopentyl-4-methylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate |
| InChI | InChI=1S/C19H21N3O3S/c1-13-7-9-16(10-8-13)26(23,24)25-18-11-14(2)17-12-20-22(19(17)21-18)15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3 |
| InChI Key | SYRURJRNCVMQBQ-UHFFFAOYSA-N |
| MDL Number | MFCD09040458 |
| Molecular Formula | C19H21N3O3S |
| Molecular Weight | 371.4533 |
| SMILES | CC1=CC=C(S(OC2=NC3=C(C=NN3C3CCCC3)C(C)=C2)(=O)=O)C=C1 |
| Synonyms | 1-cyclopentyl-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate,
929975-59-7,
1-cyclopentyl-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzenesulfonate,
AC1Q2LQA,
CTK6B9284,
ZINC8728687,
AKOS033871158,
MCULE-2522199311,
NE25379,
EN300-26928,
Z235342021,
|
| Complexity | 579 |
| 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 | 4 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number