C255H391N15O37 — CID 159121579
2-[4-(1-tert-butylazetidin-3-yl)oxybutyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybut-1-ynyl]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine (PubChem CID 159121579) has the molecular formula C255H391N15O37 and a molecular weight of 4259.00 g/mol. Its IUPAC name is 2-[4-(1-tert-butylazetidin-3-yl)oxybutyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybut-1-ynyl]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine.
| Compound Name | 2-[4-(1-tert-butylazetidin-3-yl)oxybutyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybut-1-ynyl]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine |
|---|---|
| PubChem CID | 159121579 |
| Molecular Formula | C255H391N15O37 |
| Molecular Weight | 4259.00 g/mol |
| Exact Mass | 4255.92 |
| IUPAC Name | 2-[4-(1-tert-butylazetidin-3-yl)oxybutyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybut-1-ynyl]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine |
| SMILES | CC(C)(C)OC1CC(OCCC#Cc2ccc(OC3CC(OC(C)(C)C)C3)cn2)C1.CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CC(C(C)(C)C)C3)nc2)C1.CC(C)(C)OC1CC(Oc2ccc(C#CCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OC1CC(Oc2ccc(CCCCOC3CN(C(C)(C)C)C3)nc2)C1.CC(C)(C)OCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCc1ccc(OC2CC(OC(C)(C)C)C2)nn1.CC(C)(C)OCCCc1ncc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CN(C(=O)COCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1)C(C)(C)C.[C-]#[N+]c1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1 |
| InChI | InChI=1S/C25H36N2O4.C25H37NO4.C25H37NO3.C25H38O4.C24H37N3O2.C24H40N2O3.C24H35NO4.C23H35NO4.C22H32O3.2C19H32N2O3/c1-24(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;1-24(2,3)29-22-13-20(14-22)27-12-8-7-9-18-10-11-19(17-26-18)28-21-15-23(16-21)30-25(4,5)6;1-24(2,3)18-13-21(14-18)27-12-8-7-9-19-10-11-20(17-26-19)28-22-15-23(16-22)29-25(4,5)6;1-24(2,3)27-17-9-16-26-15-8-7-10-20-11-13-21(14-12-20)28-22-18-23(19-22)29-25(4,5)6;1-23(2,3)27-14-12-26(13-15-27)11-7-8-19-9-10-20(18-25-19)28-21-16-22(17-21)29-24(4,5)6;1-23(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)25(7)22(26)17-27-14-8-9-18-10-12-19(13-11-18)28-20-15-21(16-20)29-24(4,5)6;1-18(2)26-14-8-13-25-12-7-6-9-19-10-11-20(17-24-19)27-21-15-22(16-21)28-23(3,4)5;1-21(2,3)23-14-8-7-9-17-10-12-18(13-11-17)24-19-15-20(16-19)25-22(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;1-18(2,3)22-9-7-8-17-20-12-16(13-21-17)23-14-10-15(11-14)24-19(4,5)6/h15,18,20-21H,9-10,12-14,16-17H2,1-6H3;10-11,17,20-23H,8,12-16H2,1-6H3;10-11,17-18,21-23H,8,12-16H2,1-6H3;11-14,22-23H,8-9,15-19H2,1-6H3;9-10,18,21-22H,11-17H2,1-6H3;10-11,15,20-22H,7-9,12-14,16-17H2,1-6H3;10-13,20-21H,14-17H2,1-7H3;10-11,17-18,21-22H,7-8,12-16H2,1-5H3;10-13,19-20H,8,14-16H2,1-6H3;9-10,15-16H,7-8,11-13H2,1-6H3;12-15H,7-11H2,1-6H3 |
| InChIKey | KFTJAANNQZPBIC-UHFFFAOYSA-N |
| XLogP | 50.48 |
| TPSA | 495.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 79 |
| Heavy Atoms | 307 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4259.00 |
| LogP ≤ 5 | 50.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 50 |