3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2)
Chemical Structure Depiction of
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2)
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | C908-0547 |
| Compound Name: | 3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2) |
| Molecular Weight: | 526.48 |
| Molecular Formula: | C24 H32 F N7 O |
| Salt: | 2HCl |
| Smiles: | Cc1c(CCC(NCC2CCN(CC2)Cc2ccccc2F)=O)c(C)n2c(n1)nc(CN)n2 |
| Stereo: | ACHIRAL |
| logP: | 0.9328 |
| logD: | -0.8566 |
| logSw: | -1.9854 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.959 |
| InChI Key: | XCVUCPPTXWUEIZ-UHFFFAOYSA-N |