A1BQU
Summary
| Name: | 1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide |
| Formula: | C13 H13 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 271.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-[2-(1,3-oxazol-4-yl)ethyl]pyrazolo[3,4-b]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1nc(C(=O)NCCc2cocn2)c2cccnc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H13N5O2/c1-18-12-10(3-2-5-14-12)11(17-18)13(19)15-6-4-9-7-20-8-16-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,19) |
| InChIKey | InChI | 1.06 | CQXUVXZMIRAKCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C(=O)NCCc2cocn2)c3cccnc13 |
| SMILES | CACTVS | 3.385 | Cn1nc(C(=O)NCCc2cocn2)c3cccnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2c(cccn2)c(n1)C(=O)NCCc3cocn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2c(cccn2)c(n1)C(=O)NCCc3cocn3 |
