C192H306N12O29 — CID 161265721
5-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-(1-tert-butylazetidin-3-yl)oxy-5-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]pyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-5-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine (PubChem CID 161265721) has the molecular formula C192H306N12O29 and a molecular weight of 3246.61 g/mol. Its IUPAC name is 5-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-(1-tert-butylazetidin-3-yl)oxy-5-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]pyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-5-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine.
| Compound Name | 5-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-(1-tert-butylazetidin-3-yl)oxy-5-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]pyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-5-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine |
|---|---|
| PubChem CID | 161265721 |
| Molecular Formula | C192H306N12O29 |
| Molecular Weight | 3246.61 g/mol |
| Exact Mass | 3244.28 |
| IUPAC Name | 5-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-(1-tert-butylazetidin-3-yl)oxy-5-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]pyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-5-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine |
| SMILES | CC(C)(C)OC1CC(OCCCOc2ccc(OC3CN(C(C)(C)C)C3)nc2)C1.CC(C)(C)OC1CC(Oc2ccc(C#CCCN3CC(OC(C)(C)C)C3)nc2)C1.CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CN(C(C)(C)C)C3)cn2)C1.CC(C)(C)OCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)nc1.CC(C)(C)OCCCOc1cc(OC2CC(OC(C)(C)C)C2)ccn1.CC(C)(C)OCCCc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OCCCc1ccc(OC2CC(OC(C)(C)C)C2)nc1.CC(C)(C)OCCCc1ccc(OC2CC(OC(C)(C)C)C2)nn1 |
| InChI | InChI=1S/2C24H36N2O3.C23H38N2O4.C21H31NO3.C21H34O3.C20H33NO4.2C20H33NO3.C19H32N2O3/c1-23(2,3)28-21-13-20(14-21)27-19-11-10-18(25-15-19)9-7-8-12-26-16-22(17-26)29-24(4,5)6;1-23(2,3)26-16-21(17-26)27-12-8-7-9-18-10-11-22(25-15-18)28-19-13-20(14-19)29-24(4,5)6;1-22(2,3)25-15-20(16-25)28-21-9-8-17(14-24-21)26-10-7-11-27-18-12-19(13-18)29-23(4,5)6;1-20(2,3)23-12-8-7-9-16-10-11-19(22-15-16)24-17-13-18(14-17)25-21(4,5)6;1-20(2,3)22-13-7-8-16-9-11-17(12-10-16)23-18-14-19(15-18)24-21(4,5)6;1-19(2,3)23-11-7-10-22-18-14-15(8-9-21-18)24-16-12-17(13-16)25-20(4,5)6;1-19(2,3)22-11-7-8-15-9-10-16(14-21-15)23-17-12-18(13-17)24-20(4,5)6;1-19(2,3)22-11-7-8-15-9-10-18(21-14-15)23-16-12-17(13-16)24-20(4,5)6;1-18(2,3)22-11-7-8-14-9-10-17(21-20-14)23-15-12-16(13-15)24-19(4,5)6/h10-11,15,20-22H,8,12-14,16-17H2,1-6H3;10-11,15,19-21H,8,12-14,16-17H2,1-6H3;8-9,14,18-20H,7,10-13,15-16H2,1-6H3;10-11,15,17-18H,8,12-14H2,1-6H3;9-12,18-19H,7-8,13-15H2,1-6H3;8-9,14,16-17H,7,10-13H2,1-6H3;9-10,14,17-18H,7-8,11-13H2,1-6H3;9-10,14,16-17H,7-8,11-13H2,1-6H3;9-10,15-16H,7-8,11-13H2,1-6H3 |
| InChIKey | VDDRNUBYHDZWAN-UHFFFAOYSA-N |
| XLogP | 39.14 |
| TPSA | 393.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 233 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3246.61 |
| LogP ≤ 5 | 39.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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