(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
Formula:C23H25N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide |
| MolecularFormula | C23H25N5O2 |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)NCCN1CCOCC1 |
| InChI | InChI=1S/C23H25N5O2/c29-22(25-11-12-27-13-15-30-16-14-27)9-8-20-18-28(21-6-2-1-3-7-21)26-23(20)19-5-4-10-24-17-19/h1-10,17-18H,11-16H2,(H,25,29) |
| InChIK | ZQSMNQNIDOEFDC-UHFFFAOYSA-N |
| TotalMolweight | 403.485 |
| Molweight | 403.485 |
| MonoisotopicMass | 403.200825 |
| CLogP | 1.0145 |
| CLogS | -2.199 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 324.57 |
| Relative PSA | 0.206 |
| PolarSurfaceArea | 72.28 |
| Druglikeness | 4.1939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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