C174H269N11O27 — CID 160970933
3-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridazine;2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]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]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzene;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine (PubChem CID 160970933) has the molecular formula C174H269N11O27 and a molecular weight of 2947.12 g/mol. Its IUPAC name is 3-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridazine;2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]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]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzene;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine.
| Compound Name | 3-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridazine;2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]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]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzene;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine |
|---|---|
| PubChem CID | 160970933 |
| Molecular Formula | C174H269N11O27 |
| Molecular Weight | 2947.12 g/mol |
| Exact Mass | 2945.00 |
| IUPAC Name | 3-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridazine;2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]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]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzene;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine |
| SMILES | 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)nc2)C1.CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CN(C(C)(C)C)C3)nn2)C1.CC(C)(C)OCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.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)OCCCOc1cccc(OC2CC(OC(C)(C)C)C2)c1.CC(C)(C)OCCCOc1cccc(OC2CC(OC(C)(C)C)C2)n1 |
| InChI | InChI=1S/2C24H36N2O3.C23H35N3O3.2C21H31NO3.C21H34O4.2C20H33NO4/c1-23(2,3)26-16-22(17-26)27-12-8-7-9-18-10-11-19(15-25-18)28-20-13-21(14-20)29-24(4,5)6;1-23(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;1-22(2,3)26-15-20(16-26)27-12-8-7-9-17-10-11-21(25-24-17)28-18-13-19(14-18)29-23(4,5)6;1-20(2,3)23-12-8-7-9-16-10-11-17(15-22-16)24-18-13-19(14-18)25-21(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)23-12-8-11-22-16-9-7-10-17(13-16)24-18-14-19(15-18)25-21(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)23-12-8-11-22-17-9-7-10-18(21-17)24-15-13-16(14-15)25-20(4,5)6/h2*10-11,15,20-22H,8,12-14,16-17H2,1-6H3;10-11,18-20H,8,12-16H2,1-6H3;10-11,15,18-19H,8,12-14H2,1-6H3;10-11,15,17-18H,8,12-14H2,1-6H3;7,9-10,13,18-19H,8,11-12,14-15H2,1-6H3;8-9,14,16-17H,7,10-13H2,1-6H3;7,9-10,15-16H,8,11-14H2,1-6H3 |
| InChIKey | SYFWZTHPRVPISN-UHFFFAOYSA-N |
| XLogP | 34.04 |
| TPSA | 362.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2947.12 |
| LogP ≤ 5 | 34.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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