N-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}piperidin-3-yl)but-2-ynamide
Chemical Structure Depiction of
N-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}piperidin-3-yl)but-2-ynamide
N-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}piperidin-3-yl)but-2-ynamide
Compound characteristics
| Compound ID: | T002-2954 |
| Compound Name: | N-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}piperidin-3-yl)but-2-ynamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | CC#CC(NC1CCCN(C1)C(c1cnn2c(C)c(Cc3ccccc3C)c(C)nc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7273 |
| logD: | 3.7273 |
| logSw: | -3.9461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.078 |
| InChI Key: | MCCMMNVCYWNRLF-NRFANRHFSA-N |