A1BQ7
Summary
| Name: | (3S)-1-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxamide |
| Formula: | C13 H15 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 273.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-(1~{H}-pyrazolo[3,4-b]pyridin-4-ylcarbonyl)piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(C1)C(=O)c1ccnc2[NH]ncc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H15N5O2/c14-11(19)8-2-1-5-18(7-8)13(20)9-3-4-15-12-10(9)6-16-17-12/h3-4,6,8H,1-2,5,7H2,(H2,14,19)(H,15,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | VGFDAVBEVLFUNW-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)c2ccnc3[nH]ncc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)c2ccnc3[nH]ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnc2c(c1C(=O)N3CCC[C@@H](C3)C(=O)N)cn[nH]2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnc2c(c1C(=O)N3CCCC(C3)C(=O)N)cn[nH]2 |
