1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0034 |
| Compound Name: | 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C24 H18 N6 O3 |
| Smiles: | CC1C=CC2=NC3=C(C=C(C#N)C(N3C3=C(C)N(C)N(C3=O)c3ccccc3)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9433 |
| logD: | 0.9433 |
| logSw: | -0.9168 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.638 |
| InChI Key: | IWTWIQKXUKGDMX-UHFFFAOYSA-N |