ZVD
Summary
| Name: | N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| Formula: | C18 H24 F2 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 394.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R})-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(5-fluoranylpyrimidin-4-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cncnc1Nc1cc(NC(C)C)c(cn1)C(=O)NCC(F)C(C)(C)O |
| InChI | InChI | 1.06 | InChI=1S/C18H24F2N6O2/c1-10(2)25-13-5-15(26-16-12(19)7-21-9-24-16)22-6-11(13)17(27)23-8-14(20)18(3,4)28/h5-7,9-10,14,28H,8H2,1-4H3,(H,23,27)(H2,21,22,24,25,26)/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | STMUIBGUZVAURD-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Nc1cc(Nc2ncncc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |
| SMILES | CACTVS | 3.385 | CC(C)Nc1cc(Nc2ncncc2F)ncc1C(=O)NC[CH](F)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cncn2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)Nc2c(cncn2)F |
