C109H108Cl4F4N18O10 — CID 157414257
5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole (PubChem CID 157414257) has the molecular formula C109H108Cl4F4N18O10 and a molecular weight of 2047.98 g/mol. Its IUPAC name is 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole.
| Compound Name | 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole |
|---|---|
| PubChem CID | 157414257 |
| Molecular Formula | C109H108Cl4F4N18O10 |
| Molecular Weight | 2047.98 g/mol |
| Exact Mass | 2044.72 |
| IUPAC Name | 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole |
| SMILES | Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCN(C)CC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCNCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OCC4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@@H]4CCOC4)nc3)c2c1 |
| InChI | InChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.C27H27ClFN5O2.C26H24ClFN4O3/c1-17-14-31-16-23(29)28(17)18(2)36-21-5-6-25-22(12-21)26(34-33-25)13-24(30)19-4-7-27(32-15-19)37-20-8-10-35(3)11-9-20;1-17-13-31-15-23(29)28(17)18(2)37-21-4-5-25-22(11-21)26(34-33-25)12-24(30)20-3-6-27(32-14-20)36-16-19-7-9-35-10-8-19;1-16-13-31-15-22(28)27(16)17(2)35-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(32-14-18)36-19-7-9-30-10-8-19;1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h4-7,12-16,18,20H,8-11H2,1-3H3,(H,33,34);3-6,11-15,18-19H,7-10,16H2,1-2H3,(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34);3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b24-13-;24-12-;23-12-;22-10-/t2*18-;17-;16-,19-/m1111/s1 |
| InChIKey | BOQQTWJLHMZBLI-NOPIAZAHSA-N |
| XLogP | 25.27 |
| TPSA | 325.41 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 145 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2047.98 |
| LogP ≤ 5 | 25.27 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 24 |