1-(4-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-1,4-diazepan-1-yl)but-2-yn-1-one
Chemical Structure Depiction of
1-(4-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-1,4-diazepan-1-yl)but-2-yn-1-one
1-(4-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-1,4-diazepan-1-yl)but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0777 |
| Compound Name: | 1-(4-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-1,4-diazepan-1-yl)but-2-yn-1-one |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | CC#CC(N1CCCN(CC1)C(c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3412 |
| logD: | 3.3411 |
| logSw: | -3.43 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.671 |
| InChI Key: | DLUUCYGSGQHANT-UHFFFAOYSA-N |