T67
Summary
| Name: | 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one |
| Formula: | C14 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 258.319 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methylpiperazin-1-yl)-2-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(=O)Cc2cnc3ncccc23)C |
| InChI | InChI | 1.03 | InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)13(19)9-11-10-16-14-12(11)3-2-4-15-14/h2-4,10H,5-9H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | XAAUHRXDRLNFFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)Cc2c[nH]c3ncccc23 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)Cc2c[nH]c3ncccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3 |
