504
Summary
| Name: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide |
| Formula: | C26 H29 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 475.606 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide |
| OpenEye OEToolkits | 2.0.6 | 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc(c1)CC(=O)Nc2scc(n2)c3cnc4c3cccn4)OCCCC5CCNCC5 |
| InChI | InChI | 1.03 | InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32) |
| InChIKey | InChI | 1.03 | OKUPZBPYLVKVSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc3scc(n3)c4c[nH]c5ncccc45 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc3scc(n3)c4c[nH]c5ncccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 |
