C169H256F2N8O27 — CID 159274163
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;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 159274163) has the molecular formula C169H256F2N8O27 and a molecular weight of 2869.93 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;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-[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;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 | 159274163 |
| Molecular Formula | C169H256F2N8O27 |
| Molecular Weight | 2869.93 g/mol |
| Exact Mass | 2867.89 |
| 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;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)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.Cc1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1.Cc1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1 |
| InChI | InChI=1S/C26H40N2O3.2C25H39NO4.C24H35NO4.C24H37NO4.C23H35NO4.C22H31F2NO4/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;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/h10-11,19,21,23-24H,8,12-18H2,1-6H3;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 | KYBYHMXXDZQGCY-UHFFFAOYSA-N |
| XLogP | 33.24 |
| TPSA | 342.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2869.93 |
| LogP ≤ 5 | 33.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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