3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}propanamide
Chemical Structure Depiction of
3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}propanamide
3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}propanamide
Compound characteristics
| Compound ID: | Y042-6901 |
| Compound Name: | 3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}propanamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | CC(C)n1c2ccccc2nc1CNC(CCN1C(c2cccnc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0781 |
| logD: | 1.078 |
| logSw: | -2.0916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.102 |
| InChI Key: | HIRVHFZRZBVLKL-UHFFFAOYSA-N |