C168H252F2N8O28 — CID 157487238
2-[3,3-difluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]ethynyl]pyridine (PubChem CID 157487238) has the molecular formula C168H252F2N8O28 and a molecular weight of 2869.89 g/mol. Its IUPAC name is 2-[3,3-difluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]ethynyl]pyridine.
| Compound Name | 2-[3,3-difluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]ethynyl]pyridine |
|---|---|
| PubChem CID | 157487238 |
| Molecular Formula | C168H252F2N8O28 |
| Molecular Weight | 2869.89 g/mol |
| Exact Mass | 2867.85 |
| IUPAC Name | 2-[3,3-difluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]ethynyl]pyridine |
| SMILES | CC(C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OCCOC(F)(F)C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OCCOC1(C#Cc2ccc(OC3CC(OC(C)(C)C)C3)cn2)CC1.Cc1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1.Cc1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1 |
| InChI | InChI=1S/C25H36N2O4.2C25H39NO4.C24H35NO4.C24H37NO4.C23H35NO4.C22H31F2NO4/c1-24(2,3)29-16-10-15-28-14-9-8-11-19-12-13-22(23(26-7)27-19)30-20-17-21(18-20)31-25(4,5)6;2*1-19-23(29-21-17-22(18-21)30-25(5,6)7)13-12-20(26-19)11-8-9-14-27-15-10-16-28-24(2,3)4;1-22(2,3)26-13-14-27-24(11-12-24)10-9-18-7-8-19(17-25-18)28-20-15-21(16-20)29-23(4,5)6;1-22(2,3)26-13-14-27-24(7,8)12-11-18-9-10-19(17-25-18)28-20-15-21(16-20)29-23(4,5)6;1-17(25-12-13-26-22(2,3)4)8-9-18-10-11-19(16-24-18)27-20-14-21(15-20)28-23(5,6)7;1-20(2,3)26-11-12-27-22(23,24)10-9-16-7-8-17(15-25-16)28-18-13-19(14-18)29-21(4,5)6/h12-13,20-21H,9-10,14-18H2,1-6H3;2*12-13,21-22H,9-10,14-18H2,1-7H3;7-8,17,20-21H,11-16H2,1-6H3;9-10,17,20-21H,13-16H2,1-8H3;10-11,16-17,20-21H,12-15H2,1-7H3;7-8,15,18-19H,11-14H2,1-6H3 |
| InChIKey | BWVYSCBTCLWNQM-UHFFFAOYSA-N |
| XLogP | 33.73 |
| TPSA | 353.03 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2869.89 |
| LogP ≤ 5 | 33.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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