A1H9N
Summary
| Name: | N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-azanylpyridin-3-yl)-5-methyl-morpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide |
| Formula: | C25 H31 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 433.546 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[(1~{R},2~{S})-2-[[(2~{S},5~{S})-2-(6-azanylpyridin-3-yl)-5-methyl-morpholin-4-yl]methyl]cyclopropyl]ethyl]-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H31N5O2/c1-16-15-32-23(19-6-7-24(26)28-12-19)14-30(16)13-20-10-17(20)8-9-27-25(31)22-11-18-4-2-3-5-21(18)29-22/h2-7,11-12,16-17,20,23,29H,8-10,13-15H2,1H3,(H2,26,28)(H,27,31)/t16-,17-,20+,23+/m0/s1 |
| InChIKey | InChI | 1.06 | JQBHQHNVJCDNEL-SLHLXQHXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CO[C@H](CN1C[C@H]2C[C@@H]2CCNC(=O)c3[nH]c4ccccc4c3)c5ccc(N)nc5 |
| SMILES | CACTVS | 3.385 | C[CH]1CO[CH](CN1C[CH]2C[CH]2CCNC(=O)c3[nH]c4ccccc4c3)c5ccc(N)nc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CO[C@H](CN1C[C@H]2C[C@@H]2CCNC(=O)c3cc4ccccc4[nH]3)c5ccc(nc5)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1COC(CN1CC2CC2CCNC(=O)c3cc4ccccc4[nH]3)c5ccc(nc5)N |
