C95H128BrN15O11Si3 — CID 159876737
2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]propan-2-ol;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol (PubChem CID 159876737) has the molecular formula C95H128BrN15O11Si3 and a molecular weight of 1820.32 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]propan-2-ol;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol.
| Compound Name | 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]propan-2-ol;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol |
|---|---|
| PubChem CID | 159876737 |
| Molecular Formula | C95H128BrN15O11Si3 |
| Molecular Weight | 1820.32 g/mol |
| Exact Mass | 1817.84 |
| IUPAC Name | 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]propan-2-ol;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol |
| SMILES | CC(C)(O)Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.CCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21 |
| InChI | InChI=1S/C26H36N4O4Si.C26H38N4O3Si.C22H29BrN4O2Si.C21H25N3O2/c1-5-34-25(31)17-20-6-7-23-22(16-20)26(28-30(23)19-33-14-15-35(2,3)4)21-8-9-27-24(18-21)29-10-12-32-13-11-29;1-26(2,31)18-20-6-7-23-22(16-20)25(28-30(23)19-33-14-15-34(3,4)5)21-8-9-27-24(17-21)29-10-12-32-13-11-29;1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;1-21(2,25)13-15-3-4-17-14-23-20(18(17)11-15)16-5-6-22-19(12-16)24-7-9-26-10-8-24/h6-9,16,18H,5,10-15,17,19H2,1-4H3;6-9,16-17,31H,10-15,18-19H2,1-5H3;4-7,14-15H,8-13,16H2,1-3H3;3-6,11-12,25H,7-10,13-14H2,1-2H3 |
| InChIKey | NSZPJBVPVUCHNB-UHFFFAOYSA-N |
| XLogP | 16.51 |
| TPSA | 261.71 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 125 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1820.32 |
| LogP ≤ 5 | 16.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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