C185H195BBrCl4N25O9P4PdSi4 — CID 159834372
2-[(5-bromoindazol-2-yl)methoxy]ethyl-trimethylsilane;2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,6-dichloropyrimidine;morpholine;palladium;pyridin-3-ylboronic acid;4-[6-(6-pyridin-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane;trimethyl-[2-[(5-pyridin-3-ylindazol-2-yl)methoxy]ethyl]silane;tetrakis(triphenylphosphane);hydrochloride (PubChem CID 159834372) has the molecular formula C185H195BBrCl4N25O9P4PdSi4 and a molecular weight of 3487.95 g/mol. Its IUPAC name is 2-[(5-bromoindazol-2-yl)methoxy]ethyl-trimethylsilane;2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,6-dichloropyrimidine;morpholine;palladium;pyridin-3-ylboronic acid;4-[6-(6-pyridin-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane;trimethyl-[2-[(5-pyridin-3-ylindazol-2-yl)methoxy]ethyl]silane;tetrakis(triphenylphosphane);hydrochloride.
| Compound Name | 2-[(5-bromoindazol-2-yl)methoxy]ethyl-trimethylsilane;2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,6-dichloropyrimidine;morpholine;palladium;pyridin-3-ylboronic acid;4-[6-(6-pyridin-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane;trimethyl-[2-[(5-pyridin-3-ylindazol-2-yl)methoxy]ethyl]silane;tetrakis(triphenylphosphane);hydrochloride |
|---|---|
| PubChem CID | 159834372 |
| Molecular Formula | C185H195BBrCl4N25O9P4PdSi4 |
| Molecular Weight | 3487.95 g/mol |
| Exact Mass | 3482.07 |
| IUPAC Name | 2-[(5-bromoindazol-2-yl)methoxy]ethyl-trimethylsilane;2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,6-dichloropyrimidine;morpholine;palladium;pyridin-3-ylboronic acid;4-[6-(6-pyridin-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane;trimethyl-[2-[(5-pyridin-3-ylindazol-2-yl)methoxy]ethyl]silane;tetrakis(triphenylphosphane);hydrochloride |
| SMILES | C1COCCN1.C[Si](C)(C)CCOCn1cc2cc(-c3cccnc3)ccc2n1.C[Si](C)(C)CCOCn1cc2cc(Br)ccc2n1.C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(Cl)ncn1.C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCOCC2)ncn1.Cl.Clc1cc(Cl)ncn1.OB(O)c1cccnc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cncc(-c2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)c1 |
| InChI | InChI=1S/C26H32N6O2Si.C22H24ClN5OSi.C21H19N5O.C18H23N3OSi.4C18H15P.C13H19BrN2OSi.C5H6BNO2.C4H2Cl2N2.C4H9NO.ClH.Pd/c1-35(2,3)14-13-34-19-32-26(24-16-25(29-18-28-24)31-9-11-33-12-10-31)22-15-20(6-7-23(22)30-32)21-5-4-8-27-17-21;1-30(2,3)10-9-29-15-28-22(20-12-21(23)26-14-25-20)18-11-16(6-7-19(18)27-28)17-5-4-8-24-13-17;1-2-16(12-22-5-1)15-3-4-17-13-23-21(18(17)10-15)19-11-20(25-14-24-19)26-6-8-27-9-7-26;1-23(2,3)10-9-22-14-21-13-17-11-15(6-7-18(17)20-21)16-5-4-8-19-12-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18(2,3)7-6-17-10-16-9-11-8-12(14)4-5-13(11)15-16;8-6(9)5-2-1-3-7-4-5;5-3-1-4(6)8-2-7-3;1-3-6-4-2-5-1;;/h4-8,15-18H,9-14,19H2,1-3H3;4-8,11-14H,9-10,15H2,1-3H3;1-5,10-12,14H,6-9,13H2;4-8,11-13H,9-10,14H2,1-3H3;4*1-15H;4-5,8-9H,6-7,10H2,1-3H3;1-4,8-9H;1-2H;5H,1-4H2;1H; |
| InChIKey | ZYUJHHXYAXNJPB-UHFFFAOYSA-N |
| XLogP | 35.82 |
| TPSA | 374.79 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 234 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3487.95 |
| LogP ≤ 5 | 35.82 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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