N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}benzamide
Compound characteristics
| Compound ID: | G284-2107 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}benzamide |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C28 H25 N5 O3 |
| Smiles: | Cc1cc(C)nc2c1c(nn2Cc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5526 |
| logD: | 4.528 |
| logSw: | -4.5192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.175 |
| InChI Key: | QGVMFDYWFMLBJI-UHFFFAOYSA-N |