XSG
Summary
| Name: | 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| Formula: | C23 H24 N6 |
| Formal charge: | 0 |
| Formula weight: | 384.477 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| OpenEye OEToolkits | 2.0.7 | 7-[(1~{R})-3-[[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]amino]-1-phenyl-propyl]-3~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC2c1ccccc1CC2)CC(c3c4c(nc(N)c3)nnn4)c5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | DVUSPTTWBXHBNF-YLJYHZDGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc([C@H](CCN[C@@H]2CCc3ccccc23)c4ccccc4)c5nn[nH]c5n1 |
| SMILES | CACTVS | 3.385 | Nc1cc([CH](CCN[CH]2CCc3ccccc23)c4ccccc4)c5nn[nH]c5n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CCNC2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N |
