N-[4-[chloro(difluoro)methoxy]phenyl]-N-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Formula:C22H14N4O2ClF5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[4-[chloro(difluoro)methoxy]phenyl]-N-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is not a drug-like molecule.
| MolName | N-[4-[chloro(difluoro)methoxy]phenyl]-N-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| MolecularFormula | C22H14N4O2ClF5 |
| Smiles | CN(C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1)=O)c(cc1)ccc1OC(F)(F)Cl |
| InChI | InChI=1S/C22H14ClF5N4O2/c1-31(14-7-9-15(10-8-14)34-22(23,27)28)20(33)17-12-19-29-16(13-5-3-2-4-6-13)11-18(21(24,25)26)32(19)30-17/h2-12H,1H3 |
| InChIK | ZIKCUFHJZSZRLP-UHFFFAOYSA-N |
| TotalMolweight | 496.822 |
| Molweight | 496.822 |
| MonoisotopicMass | 496.072543 |
| CLogP | 6.0239 |
| CLogS | -6.801 |
| H Acceptors | 6 |
| TotalSurfaceArea | 333.85 |
| Relative PSA | 0.16918 |
| PolarSurfaceArea | 59.73 |
| Druglikeness | -4.7785 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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