15-(2,5-dihydrofuran-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(3,6-dihydro-2H-pyran-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4-ethylpiperazin-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxolan-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
C139H146N26O16 — CID 159218321
Data last refreshed: (MolForge compound catalog, from PubChem)
About 15-(2,5-dihydrofuran-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(3,6-dihydro-2H-pyran-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4-ethylpiperazin-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxolan-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
15-(2,5-dihydrofuran-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(3,6-dihydro-2H-pyran-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4-ethylpiperazin-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxolan-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 159218321) has the molecular formula C139H146N26O16 and a molecular weight of 2436.86 g/mol. Its IUPAC name is 15-(2,5-dihydrofuran-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(3,6-dihydro-2H-pyran-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4-ethylpiperazin-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxolan-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
Molecular Properties
| Compound Name | 15-(2,5-dihydrofuran-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(3,6-dihydro-2H-pyran-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4-ethylpiperazin-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxolan-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one |
|---|---|
| PubChem CID | 159218321 |
| Molecular Formula | C139H146N26O16 |
| Molecular Weight | 2436.86 g/mol |
| Exact Mass | 2435.14 |
| IUPAC Name | 15-(2,5-dihydrofuran-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(3,6-dihydro-2H-pyran-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4-ethylpiperazin-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(oxolan-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one |
| SMILES | CCN1CCN(c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nccn2CCCCO3)CC1.Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nccn1CCCCO2.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2ccc(C3=CCOC3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2ccc(C3=CCOCC3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2ccc(C3CCOC3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2ccc(C3CCOCC3)cc21 |
| InChI | InChI=1S/C25H30N6O2.C24H26N4O3.C24H24N4O3.C23H24N4O3.C23H22N4O3.C20H20N4O2/c1-2-29-13-15-30(16-14-29)19-8-9-22-20(18-19)25(32)28-23-7-5-6-21(27-23)24-26-10-12-31(24)11-3-4-17-33-22;2*29-24-19-16-18(17-8-14-30-15-9-17)6-7-21(19)31-13-2-1-11-28-12-10-25-23(28)20-4-3-5-22(26-20)27-24;2*28-23-18-14-16(17-8-13-29-15-17)6-7-20(18)30-12-2-1-10-27-11-9-24-22(27)19-4-3-5-21(25-19)26-23;1-14-7-8-17-15(13-14)20(25)23-18-6-4-5-16(22-18)19-21-9-11-24(19)10-2-3-12-26-17/h5-10,12,18H,2-4,11,13-17H2,1H3,(H,27,28,32);3-7,10,12,16-17H,1-2,8-9,11,13-15H2,(H,26,27,29);3-8,10,12,16H,1-2,9,11,13-15H2,(H,26,27,29);3-7,9,11,14,17H,1-2,8,10,12-13,15H2,(H,25,26,28);3-9,11,14H,1-2,10,12-13,15H2,(H,25,26,28);4-9,11,13H,2-3,10,12H2,1H3,(H,22,23,25) |
| InChIKey | KRJAXODGUROBBD-UHFFFAOYSA-N |
| XLogP | 23.29 |
| TPSA | 457.64 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 181 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2436.86 |
| LogP ≤ 5 | 23.29 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 36 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159218321 — identifiers, structure, computed properties (public domain)
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