N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide
C106H116F13N27O11 — CID 157065681
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide (PubChem CID 157065681) has the molecular formula C106H116F13N27O11 and a molecular weight of 2191.25 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157065681 |
| Molecular Formula | C106H116F13N27O11 |
| Molecular Weight | 2191.25 g/mol |
| Exact Mass | 2189.91 |
| IUPAC Name | N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide |
| SMILES | CCN(C(=O)c1c(F)ccnc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cnc1-c1nnc(C)o1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1cccnc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ncc(C)cc1-n1cccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1 |
| InChI | InChI=1S/C22H24F3N5O2.C22H25F2N5O2.C21H23F3N6O2.C21H22F3N5O3.C20H22F2N6O2/c1-5-30(14(2)13-32-18-7-6-15(12-27-18)22(3,24)25)21(31)19-16(23)8-10-26-20(19)17-9-11-29(4)28-17;1-5-28(16(3)14-31-19-8-7-17(13-25-19)22(4,23)24)21(30)20-18(11-15(2)12-26-20)29-10-6-9-27-29;1-5-29(14(3)12-32-19-17(22)10-15(11-25-19)21(4,23)24)20(31)16-7-6-13(2)28-18(16)30-26-8-9-27-30;1-5-29(12(2)11-31-17-7-6-14(9-25-17)21(4,23)24)20(30)16-8-15(22)10-26-18(16)19-28-27-13(3)32-19;1-4-27(14(2)13-30-17-8-7-15(12-24-17)20(3,21)22)19(29)16-6-5-9-23-18(16)28-25-10-11-26-28/h6-12,14H,5,13H2,1-4H3;6-13,16H,5,14H2,1-4H3;6-11,14H,5,12H2,1-4H3;6-10,12H,5,11H2,1-4H3;5-12,14H,4,13H2,1-3H3/t14-;16-;14-;12-;14-/m00000/s1 |
| InChIKey | ABVRBIVRBWXHGB-RNDQHLLVSA-N |
| XLogP | 18.73 |
| TPSA | 412.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 157 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2191.25 |
| LogP ≤ 5 | 18.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 33 |
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