C110H111Cl4F4N19O9 — CID 157282609
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 157282609) has the molecular formula C110H111Cl4F4N19O9 and a molecular weight of 2061.03 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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine.
| 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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine |
|---|---|
| PubChem CID | 157282609 |
| Molecular Formula | C110H111Cl4F4N19O9 |
| Molecular Weight | 2061.03 g/mol |
| Exact Mass | 2057.75 |
| 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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine |
| SMILES | Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(NC4CCOCC4)nc3)c2c1.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 |
| InChI | InChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.2C27H27ClFN5O2/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;1-16-13-30-15-22(28)27(16)17(2)36-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(31-14-18)32-19-7-9-35-10-8-19;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/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);3-6,11-15,17,19H,7-10H2,1-2H3,(H,31,32)(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34)/b24-13-;24-12-;2*23-12-/t2*18-;2*17-/m1111/s1 |
| InChIKey | AZVNAYPBNHPLGO-HNUNHOACSA-N |
| XLogP | 25.69 |
| TPSA | 328.21 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2061.03 |
| LogP ≤ 5 | 25.69 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 24 |