7-benzyl-5-piperidin-1-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine
Formula:C21H28N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-benzyl-5-piperidin-1-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine is a drug-like molecule.
| MolName | 7-benzyl-5-piperidin-1-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine |
| MolecularFormula | C21H28N6 |
| Smiles | Nc1c2c(CC[NH+](Cc3ccccc3)C3)c3c(N3CCCCC3)[nH+]c2n[nH]1 |
| InChI | InChI=1S/C21H26N6/c22-19-18-16-9-12-26(13-15-7-3-1-4-8-15)14-17(16)21(23-20(18)25-24-19)27-10-5-2-6-11-27/h1,3-4,7-8H,2,5-6,9-14H2,(H3,22,23,24,25)/p+2 |
| InChIK | WEUJYFZQFFQFND-UHFFFAOYSA-P |
| TotalMolweight | 364.495 |
| Molweight | 364.495 |
| MonoisotopicMass | 364.237544 |
| CLogP | -1.9401 |
| CLogS | -5.044 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 283.74 |
| Relative PSA | 0.21629 |
| PolarSurfaceArea | 76.52 |
| Druglikeness | 2.5997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - 7-benzyl-5-piperidin-1-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine | 2 - 7-benzyl-5-piperidin-1-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine
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