C335H506F2N20O53 — CID 157260604
2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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);bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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;2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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 157260604) has the molecular formula C335H506F2N20O53 and a molecular weight of 5699.82 g/mol. Its IUPAC name is 2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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);bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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;2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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);bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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;2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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 | 157260604 |
| Molecular Formula | C335H506F2N20O53 |
| Molecular Weight | 5699.82 g/mol |
| Exact Mass | 5695.75 |
| IUPAC Name | 2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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);bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[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;2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;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)OC1CC(Oc2ccc(C#CCCOC3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OC1CC(Oc2cnc(C#CCCOC3CN(C(C)(C)C)C3)cn2)C1.CC(C)(C)OCCC#Cc1cnc(OC2CC(OC(C)(C)C)C2)cn1.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)C)ncc1OC1CC(OC(C)(C)C)C1.Cc1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.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+]c1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1 |
| InChI | InChI=1S/C26H40N2O3.2C25H36N2O4.4C25H39NO4.C24H35NO4.C24H37NO4.C23H35N3O3.2C23H35NO4.C22H31F2NO4.C20H30N2O3/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;1-24(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;1-24(2,3)29-14-10-13-28-12-9-8-11-19-15-22(26-7)23(18-27-19)30-20-16-21(17-20)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;2*1-19-15-20(11-8-9-12-27-13-10-14-28-24(2,3)4)26-18-23(19)29-21-16-22(17-21)30-25(5,6)7;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;1-22(2,3)26-15-20(16-26)27-10-8-7-9-17-13-25-21(14-24-17)28-18-11-19(12-18)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;1-17(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;1-19(2,3)23-10-8-7-9-15-13-22-18(14-21-15)24-16-11-17(12-16)25-20(4,5)6/h10-11,19,21,23-24H,8,12-18H2,1-6H3;12-13,20-21H,9-10,14-18H2,1-6H3;15,18,20-21H,9-10,12-14,16-17H2,1-6H3;2*12-13,21-22H,9-10,14-18H2,1-7H3;2*15,18,21-22H,9-10,12-14,16-17H2,1-7H3;7-8,17,20-21H,11-16H2,1-6H3;9-10,17,20-21H,13-16H2,1-8H3;13-14,18-20H,8,10-12,15-16H2,1-6H3;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;13-14,16-17H,8,10-12H2,1-6H3 |
| InChIKey | AXKHOVSBCGMXOO-UHFFFAOYSA-N |
| XLogP | 65.61 |
| TPSA | 710.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 71 |
| Rotatable Bonds | 106 |
| Heavy Atoms | 410 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5699.82 |
| LogP ≤ 5 | 65.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 71 |