{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}methanone
Compound characteristics
| Compound ID: | K785-0111 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}methanone |
| Molecular Weight: | 497.6 |
| Molecular Formula: | C29 H31 N5 O3 |
| Smiles: | Cc1ccccc1Cc1c(C)nc2c(cnn2c1C)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2485 |
| logD: | 4.0569 |
| logSw: | -4.1699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.795 |
| InChI Key: | VITODOCKIHABDN-UHFFFAOYSA-N |