C144H169N33O13 — CID 157179311
2-[[6-(1H-indol-3-ylmethyliminomethyl)-4-morpholin-4-yl-2-pyridinyl]oxy]-N-methylethanamine;2-[4-(1H-indol-3-ylmethyliminomethyl)-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methanimine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanimine (PubChem CID 157179311) has the molecular formula C144H169N33O13 and a molecular weight of 2570.15 g/mol. Its IUPAC name is 2-[[6-(1H-indol-3-ylmethyliminomethyl)-4-morpholin-4-yl-2-pyridinyl]oxy]-N-methylethanamine;2-[4-(1H-indol-3-ylmethyliminomethyl)-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methanimine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanimine.
| Compound Name | 2-[[6-(1H-indol-3-ylmethyliminomethyl)-4-morpholin-4-yl-2-pyridinyl]oxy]-N-methylethanamine;2-[4-(1H-indol-3-ylmethyliminomethyl)-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methanimine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanimine |
|---|---|
| PubChem CID | 157179311 |
| Molecular Formula | C144H169N33O13 |
| Molecular Weight | 2570.15 g/mol |
| Exact Mass | 2568.36 |
| IUPAC Name | 2-[[6-(1H-indol-3-ylmethyliminomethyl)-4-morpholin-4-yl-2-pyridinyl]oxy]-N-methylethanamine;2-[4-(1H-indol-3-ylmethyliminomethyl)-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methanimine;N-(1H-indol-3-ylmethyl)-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanimine;N-(1H-indol-3-ylmethyl)-1-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanimine |
| SMILES | C(=N/Cc1c[nH]c2ccccc12)\c1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1.C(=N/Cc1c[nH]c2ccccc12)\c1cc(N2CCOCC2)cc(OCCc2ccccn2)n1.C(=N/Cc1c[nH]c2ccccc12)\c1cc(N2CCOCC2)nc(OCCN2CCCCC2)n1.C(=N/Cc1c[nH]c2ccccc12)\c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1.CNCCOc1cc(N2CCOCC2)cc(/C=N/Cc2c[nH]c3ccccc23)n1.CNCCOc1nc(/C=N/Cc2c[nH]c3ccccc23)cc(N2CCOCC2)n1 |
| InChI | InChI=1S/C26H27N5O2.C25H32N6O2.C25H26N6O2.C25H31N5O3.C22H27N5O2.C21H26N6O2/c1-2-7-25-24(6-1)20(18-29-25)17-27-19-22-15-23(31-10-13-32-14-11-31)16-26(30-22)33-12-8-21-5-3-4-9-28-21;1-4-8-30(9-5-1)10-15-33-25-28-21(16-24(29-25)31-11-13-32-14-12-31)19-26-17-20-18-27-23-7-3-2-6-22(20)23;1-2-7-23-22(6-1)19(17-28-23)16-26-18-21-15-24(31-10-13-32-14-11-31)30-25(29-21)33-12-8-20-5-3-4-9-27-20;1-2-4-24-23(3-1)20(18-27-24)17-26-19-21-15-22(30-8-12-32-13-9-30)16-25(28-21)33-14-7-29-5-10-31-11-6-29;1-23-6-9-29-22-13-19(27-7-10-28-11-8-27)12-18(26-22)16-24-14-17-15-25-21-5-3-2-4-20(17)21;1-22-6-9-29-21-25-17(12-20(26-21)27-7-10-28-11-8-27)15-23-13-16-14-24-19-5-3-2-4-18(16)19/h1-7,9,15-16,18-19,29H,8,10-14,17H2;2-3,6-7,16,18-19,27H,1,4-5,8-15,17H2;1-7,9,15,17-18,28H,8,10-14,16H2;1-4,15-16,18-19,27H,5-14,17H2;2-5,12-13,15-16,23,25H,6-11,14H2,1H3;2-5,12,14-15,22,24H,6-11,13H2,1H3/b27-19+;26-19+;26-18+;26-19+;24-16+;23-15+ |
| InChIKey | AOJRDLQJGOZZJM-OSLSBDATSA-N |
| XLogP | 18.10 |
| TPSA | 480.66 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2570.15 |
| LogP ≤ 5 | 18.10 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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