C111H161F5N18O19Si4 — CID 159532226
acetonitrile;3-amino-1-[[5-fluoro-7-[(2-methylpropan-2-yl)oxy]-3H-indol-2-yl]methyl]pyridin-2-one;3-amino-1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterioethane;2-[[2-ethyl-6-fluoro-4-[(2-methylpropan-2-yl)oxy]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methanol;1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-3-nitropyridin-2-one;methanol;3-nitro-1H-pyridin-2-one (PubChem CID 159532226) has the molecular formula C111H161F5N18O19Si4 and a molecular weight of 2259.96 g/mol. Its IUPAC name is acetonitrile;3-amino-1-[[5-fluoro-7-[(2-methylpropan-2-yl)oxy]-3H-indol-2-yl]methyl]pyridin-2-one;3-amino-1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterioethane;2-[[2-ethyl-6-fluoro-4-[(2-methylpropan-2-yl)oxy]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methanol;1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-3-nitropyridin-2-one;methanol;3-nitro-1H-pyridin-2-one.
| Compound Name | acetonitrile;3-amino-1-[[5-fluoro-7-[(2-methylpropan-2-yl)oxy]-3H-indol-2-yl]methyl]pyridin-2-one;3-amino-1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterioethane;2-[[2-ethyl-6-fluoro-4-[(2-methylpropan-2-yl)oxy]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methanol;1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-3-nitropyridin-2-one;methanol;3-nitro-1H-pyridin-2-one |
|---|---|
| PubChem CID | 159532226 |
| Molecular Formula | C111H161F5N18O19Si4 |
| Molecular Weight | 2259.96 g/mol |
| Exact Mass | 2258.12 |
| IUPAC Name | acetonitrile;3-amino-1-[[5-fluoro-7-[(2-methylpropan-2-yl)oxy]-3H-indol-2-yl]methyl]pyridin-2-one;3-amino-1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterioethane;2-[[2-ethyl-6-fluoro-4-[(2-methylpropan-2-yl)oxy]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methanol;1-[[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-3-nitropyridin-2-one;methanol;3-nitro-1H-pyridin-2-one |
| SMILES | CC#N.CC(C)(C)Oc1cc(F)cc2c1N=C(Cn1cccc(N)c1=O)C2.CC(C)(C)Oc1cc(F)cc2c1nc(CO)n2COCC[Si](C)(C)C.CC(C)(C)Oc1cc(F)cc2c1nc(Cn1cccc(N)c1=O)n2COCC[Si](C)(C)C.CC(C)(C)Oc1cc(F)cc2c1nc(Cn1cccc([N+](=O)[O-])c1=O)n2COCC[Si](C)(C)C.CCc1nc2c(OC(C)(C)C)cc(F)cc2n1COCC[Si](C)(C)C.CO.O=c1[nH]cccc1[N+](=O)[O-].[2H]CC |
| InChI | InChI=1S/C23H31FN4O5Si.C23H33FN4O3Si.C19H31FN2O2Si.C18H20FN3O2.C18H29FN2O3Si.C5H4N2O3.C2H3N.C2H6.CH4O/c1-23(2,3)33-19-13-16(24)12-18-21(19)25-20(27(18)15-32-10-11-34(4,5)6)14-26-9-7-8-17(22(26)29)28(30)31;1-23(2,3)31-19-13-16(24)12-18-21(19)26-20(14-27-9-7-8-17(25)22(27)29)28(18)15-30-10-11-32(4,5)6;1-8-17-21-18-15(22(17)13-23-9-10-25(5,6)7)11-14(20)12-16(18)24-19(2,3)4;1-18(2,3)24-15-9-12(19)7-11-8-13(21-16(11)15)10-22-6-4-5-14(20)17(22)23;1-18(2,3)24-15-10-13(19)9-14-17(15)20-16(11-22)21(14)12-23-7-8-25(4,5)6;8-5-4(7(9)10)2-1-3-6-5;1-2-3;2*1-2/h7-9,12-13H,10-11,14-15H2,1-6H3;7-9,12-13H,10-11,14-15,25H2,1-6H3;11-12H,8-10,13H2,1-7H3;4-7,9H,8,10,20H2,1-3H3;9-10,22H,7-8,11-12H2,1-6H3;1-3H,(H,6,8);1H3;1-2H3;2H,1H3/i;;;;;;;1D; |
| InChIKey | MDDKACWXKQZRGA-UGXRQETCSA-N |
| XLogP | 23.15 |
| TPSA | 468.14 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 157 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2259.96 |
| LogP ≤ 5 | 23.15 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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