C156H180ClF2N47O17 — CID 157062720
4-chloro-N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-(hydroxymethyl)-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;bis(N-ethyl-4-methyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide);N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-pyrazol-1-ylbenzamide;N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide (PubChem CID 157062720) has the molecular formula C156H180ClF2N47O17 and a molecular weight of 3058.92 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-(hydroxymethyl)-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;bis(N-ethyl-4-methyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide);N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-pyrazol-1-ylbenzamide;N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide.
| Compound Name | 4-chloro-N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-(hydroxymethyl)-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;bis(N-ethyl-4-methyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide);N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-pyrazol-1-ylbenzamide;N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide |
|---|---|
| PubChem CID | 157062720 |
| Molecular Formula | C156H180ClF2N47O17 |
| Molecular Weight | 3058.92 g/mol |
| Exact Mass | 3056.43 |
| IUPAC Name | 4-chloro-N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-(hydroxymethyl)-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;bis(N-ethyl-4-methyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide);N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-pyrazol-1-ylbenzamide;N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide |
| SMILES | CCN(C(=O)c1ccc(C)cc1-n1nccn1)[C@@H](C)COc1cnc(C)cn1.CCN(C(=O)c1ccc(C)cc1-n1nccn1)[C@@H](C)COc1cnc(C)cn1.CCN(C(=O)c1ccc(CO)cc1-n1nccn1)[C@@H](C)COc1cnc(C)cn1.CCN(C(=O)c1ccc(Cl)cc1-n1nccn1)[C@@H](C)COc1cnc(C)cn1.CCN(C(=O)c1ccc(F)cc1-n1nccn1)[C@@H](C)COc1cnc(C)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)COc1cnc(C)cn1.CCN(C(=O)c1ccccc1-n1cccn1)[C@@H](C)COc1cnc(C)cn1.CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)COc1cnc(C)cn1 |
| InChI | InChI=1S/C20H24N6O3.2C20H24N6O2.C20H23N5O2.C19H21ClN6O2.2C19H21FN6O2.C19H22N6O2/c1-4-25(15(3)13-29-19-11-21-14(2)10-22-19)20(28)17-6-5-16(12-27)9-18(17)26-23-7-8-24-26;2*1-5-25(16(4)13-28-19-12-21-15(3)11-22-19)20(27)17-7-6-14(2)10-18(17)26-23-8-9-24-26;1-4-24(16(3)14-27-19-13-21-15(2)12-22-19)20(26)17-8-5-6-9-18(17)25-11-7-10-23-25;2*1-4-25(14(3)12-28-18-11-21-13(2)10-22-18)19(27)16-6-5-15(20)9-17(16)26-23-7-8-24-26;1-4-25(14(3)12-28-17-11-21-13(2)10-22-17)19(27)15-6-5-7-16(20)18(15)26-23-8-9-24-26;1-4-24(15(3)13-27-18-12-20-14(2)11-21-18)19(26)16-7-5-6-8-17(16)25-22-9-10-23-25/h5-11,15,27H,4,12-13H2,1-3H3;2*6-12,16H,5,13H2,1-4H3;5-13,16H,4,14H2,1-3H3;3*5-11,14H,4,12H2,1-3H3;5-12,15H,4,13H2,1-3H3/t15-;3*16-;3*14-;15-/m00000000/s1 |
| InChIKey | ABMYTPISBRMWPT-MNJVPIAESA-N |
| XLogP | 20.01 |
| TPSA | 695.58 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 223 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3058.92 |
| LogP ≤ 5 | 20.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 56 |