C284H426F2N16O46 — CID 157181153
2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;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-[4-(2,2-dimethylpropoxy)but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;4-isocyano-2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-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-propan-2-yloxypropoxy)but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine);4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine (PubChem CID 157181153) has the molecular formula C284H426F2N16O46 and a molecular weight of 4838.59 g/mol. Its IUPAC name is 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;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-[4-(2,2-dimethylpropoxy)but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;4-isocyano-2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-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-propan-2-yloxypropoxy)but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine);4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine.
| Compound Name | 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;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-[4-(2,2-dimethylpropoxy)but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;4-isocyano-2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-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-propan-2-yloxypropoxy)but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine);4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine |
|---|---|
| PubChem CID | 157181153 |
| Molecular Formula | C284H426F2N16O46 |
| Molecular Weight | 4838.59 g/mol |
| Exact Mass | 4835.15 |
| IUPAC Name | 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;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-[4-(2,2-dimethylpropoxy)but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;4-isocyano-2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-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-propan-2-yloxypropoxy)but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine);4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine |
| SMILES | CC(C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1)OCCOC(C)(C)C.CC(C)(C)COCCC#Cc1cnc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CCN(C(C)(C)C)CC3)nc2)C1.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.CC(COC(C)(C)C)OCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.Cc1cc(C#CCCOCCCOC(C)C)ncc1OC1CC(OC(C)(C)C)C1.Cc1nc(C#CCCOCCCOC(C)C)ccc1OC1CC(OC(C)(C)C)C1.Cc1nc(C#CCCOCCCOC(C)C)ccc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1cc(C#CC(C)(C)OCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1nc(C#CCCOCCCOC(C)C)ccc1OC1CC(OC(C)(C)C)C1 |
| InChI | InChI=1S/C26H40N2O3.C25H36N2O4.C24H34N2O4.C24H35NO4.4C24H37NO4.2C23H35NO4.C22H31F2NO4.C21H32N2O3/c1-25(2,3)28-14-12-21(13-15-28)29-16-8-7-9-20-10-11-22(19-27-20)30-23-17-24(18-23)31-26(4,5)6;1-23(2,3)28-12-13-29-25(7,8)11-10-18-14-21(26-9)22(17-27-18)30-19-15-20(16-19)31-24(4,5)6;1-18(2)28-15-9-14-27-13-8-7-10-19-11-12-22(23(25-6)26-19)29-20-16-21(17-20)30-24(3,4)5;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;2*1-18(2)27-15-9-14-26-13-8-7-10-20-11-12-23(19(3)25-20)28-21-16-22(17-21)29-24(4,5)6;1-18(2)27-13-9-12-26-11-8-7-10-20-14-19(3)23(17-25-20)28-21-15-22(16-21)29-24(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;1-17(16-26-22(2,3)4)25-12-8-9-18-10-11-19(15-24-18)27-20-13-21(14-20)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;1-20(2,3)15-24-10-8-7-9-16-13-23-19(14-22-16)25-17-11-18(12-17)26-21(4,5)6/h10-11,19,21,23-24H,8,12-18H2,1-6H3;14,17,19-20H,12-13,15-16H2,1-8H3;11-12,18,20-21H,8-9,13-17H2,1-5H3;7-8,17,20-21H,11-16H2,1-6H3;9-10,17,20-21H,13-16H2,1-8H3;2*11-12,18,21-22H,8-9,13-17H2,1-6H3;14,17-18,21-22H,8-9,11-13,15-16H2,1-6H3;10-11,16-17,20-21H,12-15H2,1-7H3;10-11,15,17,20-21H,12-14,16H2,1-7H3;7-8,15,18-19H,11-14H2,1-6H3;13-14,17-18H,8,10-12,15H2,1-6H3 |
| InChIKey | AOOUFJFRFLNAMB-UHFFFAOYSA-N |
| XLogP | 55.78 |
| TPSA | 604.11 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 94 |
| Heavy Atoms | 348 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4838.59 |
| LogP ≤ 5 | 55.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 60 |