4-({1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | D009-0594 |
| Compound Name: | 4-({1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 457.58 |
| Molecular Formula: | C27 H31 N5 O2 |
| Smiles: | CC1/C(=C\c2cn(CC(CN3CCN(C)CC3)O)c3ccccc23)C(N(c2ccccc2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.454 |
| logD: | 1.4289 |
| logSw: | -2.485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.419 |
| InChI Key: | XKPXADKPEMMNHZ-HSZRJFAPSA-N |