methyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)valinate
Chemical Structure Depiction of
methyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)valinate
methyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)valinate
Compound characteristics
| Compound ID: | S021-1141 |
| Compound Name: | methyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)valinate |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | CC(C)C(C(=O)OC)NC(N1CCC2=C(C1)N=C1C=C(c3ccccc3)NN1C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1459 |
| logD: | 2.1458 |
| logSw: | -2.4717 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.734 |
| InChI Key: | LQZRURDKCCJDMT-IBGZPJMESA-N |