UF7
Summary
| Name: | 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| Formula: | C29 H28 N6 |
| Formal charge: | 0 |
| Formula weight: | 460.573 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| OpenEye OEToolkits | 2.0.7 | 7-[(1~{R})-1-phenyl-3-[[(1~{S},3~{S})-3-phenyl-2,3-dihydro-1~{H}-inden-1-yl]amino]propyl]-3~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3C(c1ccccc1)c2ccccc2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6 |
| InChI | InChI | 1.03 | InChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1 |
| InChIKey | InChI | 1.03 | PUZMDZNRNPQCRQ-DSBYRVASSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc([C@H](CCN[C@H]2C[C@@H](c3ccccc3)c4ccccc24)c5ccccc5)c6nn[nH]c6n1 |
| SMILES | CACTVS | 3.385 | Nc1cc([CH](CCN[CH]2C[CH](c3ccccc3)c4ccccc24)c5ccccc5)c6nn[nH]c6n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC(c3c2cccc3)NCCC(c4ccccc4)c5cc(nc6c5nn[nH]6)N |
