C169H193N33O21 — CID 158675691
N-(cyclopropylmethyl)-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[6-[1-[4-[2-(diethylamino)ethoxy]phenyl]ethylamino]pyrazin-2-yl]-2-methoxyphenol;N-[2-(dimethylamino)ethyl]-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzoic acid;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-4-methylpiperazine-1-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide;2-methoxy-4-[6-[1-[4-(pyridin-3-ylmethylamino)phenyl]ethylamino]pyrazin-2-yl]phenol (PubChem CID 158675691) has the molecular formula C169H193N33O21 and a molecular weight of 3022.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[6-[1-[4-[2-(diethylamino)ethoxy]phenyl]ethylamino]pyrazin-2-yl]-2-methoxyphenol;N-[2-(dimethylamino)ethyl]-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzoic acid;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-4-methylpiperazine-1-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide;2-methoxy-4-[6-[1-[4-(pyridin-3-ylmethylamino)phenyl]ethylamino]pyrazin-2-yl]phenol.
| Compound Name | N-(cyclopropylmethyl)-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[6-[1-[4-[2-(diethylamino)ethoxy]phenyl]ethylamino]pyrazin-2-yl]-2-methoxyphenol;N-[2-(dimethylamino)ethyl]-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzoic acid;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-4-methylpiperazine-1-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide;2-methoxy-4-[6-[1-[4-(pyridin-3-ylmethylamino)phenyl]ethylamino]pyrazin-2-yl]phenol |
|---|---|
| PubChem CID | 158675691 |
| Molecular Formula | C169H193N33O21 |
| Molecular Weight | 3022.61 g/mol |
| Exact Mass | 3020.50 |
| IUPAC Name | N-(cyclopropylmethyl)-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[6-[1-[4-[2-(diethylamino)ethoxy]phenyl]ethylamino]pyrazin-2-yl]-2-methoxyphenol;N-[2-(dimethylamino)ethyl]-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzoic acid;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-4-methylpiperazine-1-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide;2-methoxy-4-[6-[1-[4-(pyridin-3-ylmethylamino)phenyl]ethylamino]pyrazin-2-yl]phenol |
| SMILES | CCN(CC)CCOc1ccc(C(C)Nc2cncc(-c3ccc(O)c(OC)c3)n2)cc1.COc1cc(-c2cncc(NC(C)c3ccc(C(=O)NCC4CC4)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(C(=O)NCCN(C)C)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(C(=O)O)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(NC(=O)CN4CCN(C)CC4)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(NC(=O)N4CCN(C)CC4)cc3)n2)ccc1O.COc1cc(-c2cncc(NC(C)c3ccc(NCc4cccnc4)cc3)n2)ccc1O |
| InChI | InChI=1S/C26H32N6O3.C25H30N6O3.C25H25N5O2.C25H32N4O3.C24H29N5O3.C24H26N4O3.C20H19N3O4/c1-18(28-25-16-27-15-22(30-25)20-6-9-23(33)24(14-20)35-3)19-4-7-21(8-5-19)29-26(34)17-32-12-10-31(2)11-13-32;1-17(18-4-7-20(8-5-18)28-25(33)31-12-10-30(2)11-13-31)27-24-16-26-15-21(29-24)19-6-9-22(32)23(14-19)34-3;1-17(19-5-8-21(9-6-19)28-14-18-4-3-11-26-13-18)29-25-16-27-15-22(30-25)20-7-10-23(31)24(12-20)32-2;1-5-29(6-2)13-14-32-21-10-7-19(8-11-21)18(3)27-25-17-26-16-22(28-25)20-9-12-23(30)24(15-20)31-4;1-16(17-5-7-18(8-6-17)24(31)26-11-12-29(2)3)27-23-15-25-14-20(28-23)19-9-10-21(30)22(13-19)32-4;1-15(17-5-7-18(8-6-17)24(30)26-12-16-3-4-16)27-23-14-25-13-20(28-23)19-9-10-21(29)22(11-19)31-2;1-12(13-3-5-14(6-4-13)20(25)26)22-19-11-21-10-16(23-19)15-7-8-17(24)18(9-15)27-2/h4-9,14-16,18,33H,10-13,17H2,1-3H3,(H,28,30)(H,29,34);4-9,14-17,32H,10-13H2,1-3H3,(H,27,29)(H,28,33);3-13,15-17,28,31H,14H2,1-2H3,(H,29,30);7-12,15-18,30H,5-6,13-14H2,1-4H3,(H,27,28);5-10,13-16,30H,11-12H2,1-4H3,(H,26,31)(H,27,28);5-11,13-16,29H,3-4,12H2,1-2H3,(H,26,30)(H,27,28);3-12,24H,1-2H3,(H,22,23)(H,25,26) |
| InChIKey | IEMKHQVIPFOOCR-UHFFFAOYSA-N |
| XLogP | 28.04 |
| TPSA | 678.18 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3022.61 |
| LogP ≤ 5 | 28.04 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 48 |