C75H114BClN14O8Si4W2-2 — CID 158478134
2-(chloromethoxy)ethyl-trimethylsilane;1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-(4H-pyrrolo[2,3-b]pyridin-4-id-1-ylmethoxy)ethyl]silane;tungsten (PubChem CID 158478134) has the molecular formula C75H114BClN14O8Si4W2-2 and a molecular weight of 1866.12 g/mol. Its IUPAC name is 2-(chloromethoxy)ethyl-trimethylsilane;1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-(4H-pyrrolo[2,3-b]pyridin-4-id-1-ylmethoxy)ethyl]silane;tungsten.
| Compound Name | 2-(chloromethoxy)ethyl-trimethylsilane;1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-(4H-pyrrolo[2,3-b]pyridin-4-id-1-ylmethoxy)ethyl]silane;tungsten |
|---|---|
| PubChem CID | 158478134 |
| Molecular Formula | C75H114BClN14O8Si4W2-2 |
| Molecular Weight | 1866.12 g/mol |
| Exact Mass | 1864.68 |
| IUPAC Name | 2-(chloromethoxy)ethyl-trimethylsilane;1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-(4H-pyrrolo[2,3-b]pyridin-4-id-1-ylmethoxy)ethyl]silane;tungsten |
| SMILES | CCOC(C)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.CCOC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2[c-]ccnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21.[W].[W].[c-]1ccnc2[nH]ccc12 |
| InChI | InChI=1S/C20H30N4O2Si.C16H22N4OSi.C13H23BN2O3.C13H19N2OSi.C7H5N2.C6H15ClOSi.2W/c1-6-26-16(2)24-14-17(13-22-24)18-7-9-21-20-19(18)8-10-23(20)15-25-11-12-27(3,4)5;1-22(2,3)9-8-21-12-20-7-5-15-14(4-6-17-16(15)20)13-10-18-19-11-13;1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14;1-17(2,3)10-9-16-11-15-8-6-12-5-4-7-14-13(12)15;1-2-6-3-5-9-7(6)8-4-1;1-9(2,3)5-4-8-6-7;;/h7-10,13-14,16H,6,11-12,15H2,1-5H3;4-7,10-11H,8-9,12H2,1-3H3,(H,18,19);8-10H,7H2,1-6H3;4,6-8H,9-11H2,1-3H3;1,3-5H,(H,8,9);4-6H2,1-3H3;;/q;;;2*-1;;; |
| InChIKey | LOURFQPGYZIANL-UHFFFAOYSA-N |
| XLogP | 17.29 |
| TPSA | 220.30 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 105 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1866.12 |
| LogP ≤ 5 | 17.29 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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