C115H114B2Br4N22O6Si2 — CID 160918466
3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-methyl-5-pyridin-3-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-3-ylboronic acid (PubChem CID 160918466) has the molecular formula C115H114B2Br4N22O6Si2 and a molecular weight of 2297.74 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-methyl-5-pyridin-3-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-3-ylboronic acid.
| Compound Name | 3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-methyl-5-pyridin-3-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-3-ylboronic acid |
|---|---|
| PubChem CID | 160918466 |
| Molecular Formula | C115H114B2Br4N22O6Si2 |
| Molecular Weight | 2297.74 g/mol |
| Exact Mass | 2292.57 |
| IUPAC Name | 3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-methyl-5-pyridin-3-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-3-ylboronic acid |
| SMILES | CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.Cc1c(-c2cccnc2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(-c2cccnc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.Cc1c(Br)cncc1-c1cccnc1.Cc1c(Br)cncc1-c1cccnc1.Cc1c(Br)cncc1Br.OB(O)c1cccnc1 |
| InChI | InChI=1S/C31H32N6OSi.C26H35BN4O3Si.C25H18N6.2C11H9BrN2.C6H5Br2N.C5H6BNO2/c1-21-25(18-33-19-26(21)23-8-7-13-32-17-23)22-11-12-29-24(16-22)30(31-34-27-9-5-6-10-28(27)35-31)36-37(29)20-38-14-15-39(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-15-19(13-27-14-20(15)17-5-4-10-26-12-17)16-8-9-21-18(11-16)24(31-30-21)25-28-22-6-2-3-7-23(22)29-25;2*1-8-10(6-14-7-11(8)12)9-3-2-4-13-5-9;1-4-5(7)2-9-3-6(4)8;8-6(9)5-2-1-3-7-4-5/h5-13,16-19H,14-15,20H2,1-4H3,(H,34,35);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2-14H,1H3,(H,28,29)(H,30,31);2*2-7H,1H3;2-3H,1H3;1-4,8-9H |
| InChIKey | SRSHWJYLTLJQIO-UHFFFAOYSA-N |
| XLogP | 26.16 |
| TPSA | 356.64 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2297.74 |
| LogP ≤ 5 | 26.16 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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