3-{4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydropyridine-1(2H)-sulfonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydropyridine-1(2H)-sulfonyl}benzonitrile
3-{4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydropyridine-1(2H)-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | P114-1732 |
| Compound Name: | 3-{4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydropyridine-1(2H)-sulfonyl}benzonitrile |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CC(C)n1cc(C2CCN(CC=2)S(c2cccc(C#N)c2)(=O)=O)c2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.6232 |
| logD: | 3.6227 |
| logSw: | -3.7757 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.436 |
| InChI Key: | LGBFCPJTFTUONZ-UHFFFAOYSA-N |