N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C28H21N5OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C28H21N5OCl2 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1N(C(C1)c(cc2)ccc2Cl)N=C1c(cc1)ccc1Cl |
| InChI | InChI=1S/C28H21Cl2N5O/c29-23-7-3-20(4-8-23)26-17-27(21-5-9-24(30)10-6-21)35(34-26)25-11-1-19(2-12-25)18-32-33-28(36)22-13-15-31-16-14-22/h1-16,18,27H,17H2,(H,33,36)/t27-/m1/s1 |
| InChIK | MZDNBKYFNYRLBV-HHHXNRCGSA-N |
| TotalMolweight | 514.415 |
| Molweight | 514.415 |
| MonoisotopicMass | 513.112314 |
| CLogP | 6.8751 |
| CLogS | -7.331 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 382.14 |
| Relative PSA | 0.16235 |
| PolarSurfaceArea | 69.95 |
| Druglikeness | 5.829 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide
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