N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V006-0102 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]pyridine-3-carboxamide |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C27 H32 N6 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(c1cc(C)nn1C(C)(C)C)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7997 |
| logD: | 2.7993 |
| logSw: | -3.3057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.524 |
| InChI Key: | LVIPRZQEOUWWDX-UHFFFAOYSA-N |