6-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
6-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
6-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2311 |
| Compound Name: | 6-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 543.63 |
| Molecular Formula: | C32 H29 N7 O2 |
| Smiles: | Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(N2CCC3=C(C2)N=C2C=C(c4ccccc4)NN2C3=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8277 |
| logD: | 3.8276 |
| logSw: | -3.9271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.047 |
| InChI Key: | YJJNJJXXJMTUFU-UHFFFAOYSA-N |