C164H177N33O20 — CID 158961775
bis(4-[6-[1-(4-aminophenyl)ethylamino]pyrazin-2-yl]-2-methoxyphenol);tert-butyl 2-[[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate;N-[3-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]acetamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-4-carboxamide;2-methoxy-4-[6-[1-[4-[2-(4-methylpiperazin-1-yl)ethylamino]phenyl]ethylamino]pyrazin-2-yl]phenol (PubChem CID 158961775) has the molecular formula C164H177N33O20 and a molecular weight of 2930.43 g/mol. Its IUPAC name is bis(4-[6-[1-(4-aminophenyl)ethylamino]pyrazin-2-yl]-2-methoxyphenol);tert-butyl 2-[[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate;N-[3-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]acetamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-4-carboxamide;2-methoxy-4-[6-[1-[4-[2-(4-methylpiperazin-1-yl)ethylamino]phenyl]ethylamino]pyrazin-2-yl]phenol.
| Compound Name | bis(4-[6-[1-(4-aminophenyl)ethylamino]pyrazin-2-yl]-2-methoxyphenol);tert-butyl 2-[[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate;N-[3-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]acetamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-4-carboxamide;2-methoxy-4-[6-[1-[4-[2-(4-methylpiperazin-1-yl)ethylamino]phenyl]ethylamino]pyrazin-2-yl]phenol |
|---|---|
| PubChem CID | 158961775 |
| Molecular Formula | C164H177N33O20 |
| Molecular Weight | 2930.43 g/mol |
| Exact Mass | 2928.38 |
| IUPAC Name | bis(4-[6-[1-(4-aminophenyl)ethylamino]pyrazin-2-yl]-2-methoxyphenol);tert-butyl 2-[[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate;N-[3-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]acetamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-4-carboxamide;2-methoxy-4-[6-[1-[4-[2-(4-methylpiperazin-1-yl)ethylamino]phenyl]ethylamino]pyrazin-2-yl]phenol |
| SMILES | COc1cc(-c2cncc(NC(C)c3ccc(N)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(N)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(NC(=O)C4CCCN4C(=O)OC(C)(C)C)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(NC(=O)c4cccnc4)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(NC(=O)c4ccncc4)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(NCCN4CCN(C)CC4)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3cccc(NC(C)=O)c3)n2)ccc1O |
| InChI | InChI=1S/C29H35N5O5.C26H34N6O2.2C25H23N5O3.C21H22N4O3.2C19H20N4O2/c1-18(31-26-17-30-16-22(33-26)20-10-13-24(35)25(15-20)38-5)19-8-11-21(12-9-19)32-27(36)23-7-6-14-34(23)28(37)39-29(2,3)4;1-19(20-4-7-22(8-5-20)28-10-11-32-14-12-31(2)13-15-32)29-26-18-27-17-23(30-26)21-6-9-24(33)25(16-21)34-3;1-16(17-3-6-20(7-4-17)29-25(32)18-9-11-26-12-10-18)28-24-15-27-14-21(30-24)19-5-8-22(31)23(13-19)33-2;1-16(17-5-8-20(9-6-17)29-25(32)19-4-3-11-26-13-19)28-24-15-27-14-21(30-24)18-7-10-22(31)23(12-18)33-2;1-13(15-5-4-6-17(9-15)24-14(2)26)23-21-12-22-11-18(25-21)16-7-8-19(27)20(10-16)28-3;2*1-12(13-3-6-15(20)7-4-13)22-19-11-21-10-16(23-19)14-5-8-17(24)18(9-14)25-2/h8-13,15-18,23,35H,6-7,14H2,1-5H3,(H,31,33)(H,32,36);4-9,16-19,28,33H,10-15H2,1-3H3,(H,29,30);2*3-16,31H,1-2H3,(H,28,30)(H,29,32);4-13,27H,1-3H3,(H,23,25)(H,24,26);2*3-12,24H,20H2,1-2H3,(H,22,23) |
| InChIKey | JMSDFFWDVKYQDX-UHFFFAOYSA-N |
| XLogP | 29.63 |
| TPSA | 713.16 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2930.43 |
| LogP ≤ 5 | 29.63 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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