N-{2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}isoquinoline-1-carboxamide
N-{2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S539-0401 |
| Compound Name: | N-{2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}isoquinoline-1-carboxamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C26 H23 N5 O2 |
| Smiles: | Cc1ccc(c(C)c1)c1cc2C(N(CCNC(c3c4ccccc4ccn3)=O)C=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9408 |
| logD: | 2.9408 |
| logSw: | -3.2349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.022 |
| InChI Key: | NTFQBCNIZZZIOD-UHFFFAOYSA-N |