A1IUI
Summary
| Name: | ~{N}-[4-[(3~{R})-piperidin-3-yl]oxyphenyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-amine |
| Formula: | C18 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 308.378 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[(3~{R})-piperidin-3-yl]oxyphenyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20N4O/c1-2-15(12-19-9-1)23-14-5-3-13(4-6-14)22-17-8-11-21-18-16(17)7-10-20-18/h3-8,10-11,15,19H,1-2,9,12H2,(H2,20,21,22)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | IYFCFYWXRIVCTH-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CNC[C@@H](C1)Oc2ccc(Nc3ccnc4[nH]ccc34)cc2 |
| SMILES | CACTVS | 3.385 | C1CNC[CH](C1)Oc2ccc(Nc3ccnc4[nH]ccc34)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2ccnc3c2cc[nH]3)O[C@@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2ccnc3c2cc[nH]3)OC4CCCNC4 |
