C115H144BBr7I2N20O11Si — CID 157302598
2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;1-[[6-(4-bromophenyl)-5-methyl-3-pyridinyl]methyl]-4-ethylpiperazine;2-bromopyridin-3-ol;2-ethoxyethyl(trimethyl)silane;1-ethylpiperazine;(5R)-5-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 157302598) has the molecular formula C115H144BBr7I2N20O11Si and a molecular weight of 2834.58 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;1-[[6-(4-bromophenyl)-5-methyl-3-pyridinyl]methyl]-4-ethylpiperazine;2-bromopyridin-3-ol;2-ethoxyethyl(trimethyl)silane;1-ethylpiperazine;(5R)-5-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
| Compound Name | 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;1-[[6-(4-bromophenyl)-5-methyl-3-pyridinyl]methyl]-4-ethylpiperazine;2-bromopyridin-3-ol;2-ethoxyethyl(trimethyl)silane;1-ethylpiperazine;(5R)-5-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione |
|---|---|
| PubChem CID | 157302598 |
| Molecular Formula | C115H144BBr7I2N20O11Si |
| Molecular Weight | 2834.58 g/mol |
| Exact Mass | 2826.36 |
| IUPAC Name | 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;1-[[6-(4-bromophenyl)-5-methyl-3-pyridinyl]methyl]-4-ethylpiperazine;2-bromopyridin-3-ol;2-ethoxyethyl(trimethyl)silane;1-ethylpiperazine;(5R)-5-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione |
| SMILES | CCN1CCN(Cc2cnc(-c3ccc(Br)cc3)c(C)c2)CC1.CCN1CCN(c2ccc(C)c(Br)n2)CC1.CCN1CCN(c2ccc(O)c(-c3ccc(Br)cc3)n2)CC1.CCN1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3)n2)CC1.CCN1CCNCC1.CCOCC[Si](C)(C)C.Cc1ccc(I)nc1Br.OB(O)c1ccc(Br)cc1.Oc1ccc(I)nc1Br.Oc1cccnc1Br |
| InChI | InChI=1S/C32H32N6O5.C19H24BrN3.C17H20BrN3O.C12H18BrN3.C7H18OSi.C6H6BBrO2.C6H5BrIN.C6H14N2.C5H3BrINO.C5H4BrNO/c1-3-36-14-16-37(17-15-36)27-11-10-26(39)28(33-27)22-6-4-21(5-7-22)12-13-32(30(41)34-31(42)35-32)20-38-19-23-8-9-24(43-2)18-25(23)29(38)40;1-3-22-8-10-23(11-9-22)14-16-12-15(2)19(21-13-16)17-4-6-18(20)7-5-17;1-2-20-9-11-21(12-10-20)16-8-7-15(22)17(19-16)13-3-5-14(18)6-4-13;1-3-15-6-8-16(9-7-15)11-5-4-10(2)12(13)14-11;1-5-8-6-7-9(2,3)4;8-6-3-1-5(2-4-6)7(9)10;1-4-2-3-5(8)9-6(4)7;1-2-8-5-3-7-4-6-8;6-5-3(9)1-2-4(7)8-5;6-5-4(8)2-1-3-7-5/h4-11,18,39H,3,14-17,19-20H2,1-2H3,(H2,34,35,41,42);4-7,12-13H,3,8-11,14H2,1-2H3;3-8,22H,2,9-12H2,1H3;4-5H,3,6-9H2,1-2H3;5-7H2,1-4H3;1-4,9-10H;2-3H,1H3;7H,2-6H2,1H3;1-2,9H;1-3,8H/t32-;;;;;;;;;/m1........./s1 |
| InChIKey | BCBQPIIEHVIKFS-IYMMSHCDSA-N |
| XLogP | 20.66 |
| TPSA | 349.77 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2834.58 |
| LogP ≤ 5 | 20.66 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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