7-benzyl-5-morpholin-4-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine
Formula:C20H26N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-benzyl-5-morpholin-4-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-morpholin-4-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine |
| MolecularFormula | C20H26N6O |
| Smiles | Nc1c2c(CC[NH+](Cc3ccccc3)C3)c3c(N3CCOCC3)[nH+]c2n[nH]1 |
| InChI | InChI=1S/C20H24N6O/c21-18-17-15-6-7-25(12-14-4-2-1-3-5-14)13-16(15)20(22-19(17)24-23-18)26-8-10-27-11-9-26/h1-5H,6-13H2,(H3,21,22,23,24)/p+2 |
| InChIK | FSFMFLKTKIVZGE-UHFFFAOYSA-P |
| TotalMolweight | 366.467 |
| Molweight | 366.467 |
| MonoisotopicMass | 366.216809 |
| CLogP | -3.1041 |
| CLogS | -4.155 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 279.98 |
| Relative PSA | 0.25491 |
| PolarSurfaceArea | 85.75 |
| Druglikeness | 3.265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-morpholin-4-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine | 2 - 7-benzyl-5-morpholin-4-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine
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