(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-[(3,4,5-trimethoxyphenyl)methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Formula:C26H24N3O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-[(3,4,5-trimethoxyphenyl)methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile is a drug-like molecule.
| MolName | (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-[(3,4,5-trimethoxyphenyl)methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| MolecularFormula | C26H24N3O5F |
| Smiles | CC(N1Cc(cc2OC)cc(OC)c2OC)=CC(OC(N)=C([C@@H]2c(cccc3)c3F)C#N)=C2C1=O |
| InChI | InChI=1S/C26H24FN3O5/c1-14-9-19-23(22(17(12-28)25(29)35-19)16-7-5-6-8-18(16)27)26(31)30(14)13-15-10-20(32-2)24(34-4)21(11-15)33-3/h5-11,22H,13,29H2,1-4H3/t22-/m0/s1 |
| InChIK | VSNJNPYQVJKMEL-QFIPXVFZSA-N |
| TotalMolweight | 477.491 |
| Molweight | 477.491 |
| MonoisotopicMass | 477.17 |
| CLogP | 3.1653 |
| CLogS | -6.053 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 356.5 |
| Relative PSA | 0.23961 |
| PolarSurfaceArea | 107.04 |
| Druglikeness | -1.2578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-[(3,4,5-trimethoxyphenyl)methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile | 2 - (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-[(3,4,5-trimethoxyphenyl)methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile
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