N-(2,5-dichlorophenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
Formula:C20H14N4OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide |
| MolecularFormula | C20H14N4OCl2 |
| Smiles | Cc1cc(-c2ccccc2)nc2cc(C(Nc(cc(cc3)Cl)c3Cl)=O)nn12 |
| InChI | InChI=1S/C20H14Cl2N4O/c1-12-9-16(13-5-3-2-4-6-13)23-19-11-18(25-26(12)19)20(27)24-17-10-14(21)7-8-15(17)22/h2-11H,1H3,(H,24,27) |
| InChIK | QLGFTBQTFSTAJA-UHFFFAOYSA-N |
| TotalMolweight | 397.264 |
| Molweight | 397.264 |
| MonoisotopicMass | 396.054465 |
| CLogP | 4.1239 |
| CLogS | -6.592 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.86 |
| Relative PSA | 0.18895 |
| PolarSurfaceArea | 59.29 |
| Druglikeness | 5.36 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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