[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
Formula:C25H23N5O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is a drug-like molecule.
| MolName | [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-phenylpiperazin-1-yl)methanone |
| MolecularFormula | C25H23N5O2F2 |
| Smiles | COc(cc1)ccc1-c(cc(C(F)F)n1nc2)nc1c2C(N(CC1)CCN1c1ccccc1)=O |
| InChI | InChI=1S/C25H23F2N5O2/c1-34-19-9-7-17(8-10-19)21-15-22(23(26)27)32-24(29-21)20(16-28-32)25(33)31-13-11-30(12-14-31)18-5-3-2-4-6-18/h2-10,15-16,23H,11-14H2,1H3 |
| InChIK | LKUHUDIKJUAHMZ-UHFFFAOYSA-N |
| TotalMolweight | 463.487 |
| Molweight | 463.487 |
| MonoisotopicMass | 463.181981 |
| CLogP | 3.2731 |
| CLogS | -5.044 |
| H Acceptors | 7 |
| TotalSurfaceArea | 342.9 |
| Relative PSA | 0.17507 |
| PolarSurfaceArea | 62.97 |
| Druglikeness | 6.6413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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