C105H112N24O11 — CID 157263508
1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2H-indazol-7-yl]ethanone (PubChem CID 157263508) has the molecular formula C105H112N24O11 and a molecular weight of 1886.21 g/mol. Its IUPAC name is 1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2H-indazol-7-yl]ethanone.
| Compound Name | 1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2H-indazol-7-yl]ethanone |
|---|---|
| PubChem CID | 157263508 |
| Molecular Formula | C105H112N24O11 |
| Molecular Weight | 1886.21 g/mol |
| Exact Mass | 1884.89 |
| IUPAC Name | 1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2H-indazol-7-yl]ethanone |
| SMILES | CC(=O)c1c(OCC2=C(c3ccnn3C(C)C)CCCC2)ccc2[nH]cnc12.CC(=O)c1c(OCC2=C(c3ccnn3C(C)C)COCC2)ccc2c[nH]nc12.CC(=O)c1c(OCc2cccnc2-c2ccnn2C(C)C)ccc2[nH]cnc12.CC(=O)c1c(OCc2cccnc2-c2ccnn2C(C)C)ccc2c[nH]nc12.CC(=O)c1c(OCc2nccnc2-c2ccnn2C(C)C)ccc2c[nH]nc12 |
| InChI | InChI=1S/C22H26N4O2.2C21H21N5O2.C21H24N4O3.C20H20N6O2/c1-14(2)26-19(10-11-25-26)17-7-5-4-6-16(17)12-28-20-9-8-18-22(24-13-23-18)21(20)15(3)27;1-13(2)26-17(8-10-24-26)20-16(5-4-9-22-20)12-28-18-7-6-15-11-23-25-21(15)19(18)14(3)27;1-13(2)26-17(8-10-25-26)20-15(5-4-9-22-20)11-28-18-7-6-16-21(24-12-23-16)19(18)14(3)27;1-13(2)25-18(6-8-23-25)17-12-27-9-7-16(17)11-28-19-5-4-15-10-22-24-21(15)20(19)14(3)26;1-12(2)26-16(6-7-24-26)20-15(21-8-9-22-20)11-28-17-5-4-14-10-23-25-19(14)18(17)13(3)27/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24);4-11,13H,12H2,1-3H3,(H,23,25);4-10,12-13H,11H2,1-3H3,(H,23,24);4-6,8,10,13H,7,9,11-12H2,1-3H3,(H,22,24);4-10,12H,11H2,1-3H3,(H,23,25) |
| InChIKey | AXSSOTGZZIOGTG-UHFFFAOYSA-N |
| XLogP | 20.69 |
| TPSA | 424.79 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 140 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1886.21 |
| LogP ≤ 5 | 20.69 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 30 |