N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
Compound characteristics
| Compound ID: | F644-0052 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C24 H28 N6 O3 |
| Smiles: | Cc1c(CCC(NCc2ccc3c(c2)OCO3)=O)c(C)n(c2cc(ncn2)N2CCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.465 |
| logD: | 3.4311 |
| logSw: | -3.7327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.527 |
| InChI Key: | MHZXMKRFVKIRCW-UHFFFAOYSA-N |