M3U
Summary
| Name: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide |
| Formula: | C14 H15 F2 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 339.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15F2N5O3/c1-17-12(22)11-3-8(24-14(15)16)6-21(11)13(23)7-2-9-10(18-4-7)5-19-20-9/h2,4-5,8,11,14H,3,6H2,1H3,(H,17,22)(H,19,20)/t8-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | IIQVNHRKCWVSPV-GZMMTYOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H]1C[C@@H](CN1C(=O)c2cnc3c[nH]nc3c2)OC(F)F |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH]1C[CH](CN1C(=O)c2cnc3c[nH]nc3c2)OC(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)[C@H]1C[C@@H](CN1C(=O)c2cc3c(c[nH]n3)nc2)OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)C1CC(CN1C(=O)c2cc3c(c[nH]n3)nc2)OC(F)F |
