(2R)-5,6-diamino-2-phenyl-8-piperidin-1-yl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-9-carbonitrile
Formula:C22H22N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-5,6-diamino-2-phenyl-8-piperidin-1-yl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-9-carbonitrile is a drug-like molecule.
| MolName | (2R)-5,6-diamino-2-phenyl-8-piperidin-1-yl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-9-carbonitrile |
| MolecularFormula | C22H22N6O |
| Smiles | Nc(c1c(N)nc2N3CCCCC3)nc(O[C@H](C3)c4ccccc4)c3c1c2C#N |
| InChI | InChI=1S/C22H22N6O/c23-12-15-17-14-11-16(13-7-3-1-4-8-13)29-22(14)27-20(25)18(17)19(24)26-21(15)28-9-5-2-6-10-28/h1,3-4,7-8,16H,2,5-6,9-11H2,(H2,24,26)(H2,25,27)/t16-/m1/s1 |
| InChIK | BWBIBKSZOXBZAY-MRXNPFEDSA-N |
| TotalMolweight | 386.458 |
| Molweight | 386.458 |
| MonoisotopicMass | 386.185509 |
| CLogP | 3.3138 |
| CLogS | -7.11 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 292.25 |
| Relative PSA | 0.27234 |
| PolarSurfaceArea | 114.08 |
| Druglikeness | -3.3695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,3-diamino-aryl |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R)-5,6-diamino-2-phenyl-8-piperidin-1-yl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-9-carbonitrile | 2 - (2R)-5,6-diamino-2-phenyl-8-piperidin-1-yl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-9-carbonitrile
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