5-N,7-dibenzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1,5-diamine
Formula:C23H26N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-N,7-dibenzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1,5-diamine is a drug-like molecule.
| MolName | 5-N,7-dibenzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1,5-diamine |
| MolecularFormula | C23H26N6 |
| Smiles | Nc1c2c(CC[NH+](Cc3ccccc3)C3)c3c(NCc3ccccc3)[nH+]c2n[nH]1 |
| InChI | InChI=1S/C23H24N6/c24-21-20-18-11-12-29(14-17-9-5-2-6-10-17)15-19(18)22(26-23(20)28-27-21)25-13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H4,24,25,26,27,28)/p+2 |
| InChIK | FBPDAPTUUYWCKJ-UHFFFAOYSA-P |
| TotalMolweight | 386.501 |
| Molweight | 386.501 |
| MonoisotopicMass | 386.221894 |
| CLogP | -1.708 |
| CLogS | -5.435 |
| H Acceptors | 6 |
| H Donors | 5 |
| TotalSurfaceArea | 303.12 |
| Relative PSA | 0.22856 |
| PolarSurfaceArea | 85.31 |
| Druglikeness | 2.713 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - 5-N,7-dibenzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1,5-diamine | 2 - 5-N,7-dibenzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1,5-diamine
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