C110H140FI2N17O25Si4 — CID 158596896
tert-butyl 2-[5-amino-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3-fluorophenyl)methyl]pyrazole-4-carbonyl]amino]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[6-methyl-5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;3-iodo-6-methyl-5-nitro-1H-pyridin-2-one;3-iodo-6-methyl-5-nitro-1-(2-trimethylsilylethoxymethyl)pyridin-2-one;6-methyl-5-nitro-1H-pyridin-2-one (PubChem CID 158596896) has the molecular formula C110H140FI2N17O25Si4 and a molecular weight of 2485.57 g/mol. Its IUPAC name is tert-butyl 2-[5-amino-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3-fluorophenyl)methyl]pyrazole-4-carbonyl]amino]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[6-methyl-5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;3-iodo-6-methyl-5-nitro-1H-pyridin-2-one;3-iodo-6-methyl-5-nitro-1-(2-trimethylsilylethoxymethyl)pyridin-2-one;6-methyl-5-nitro-1H-pyridin-2-one.
| Compound Name | tert-butyl 2-[5-amino-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3-fluorophenyl)methyl]pyrazole-4-carbonyl]amino]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[6-methyl-5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;3-iodo-6-methyl-5-nitro-1H-pyridin-2-one;3-iodo-6-methyl-5-nitro-1-(2-trimethylsilylethoxymethyl)pyridin-2-one;6-methyl-5-nitro-1H-pyridin-2-one |
|---|---|
| PubChem CID | 158596896 |
| Molecular Formula | C110H140FI2N17O25Si4 |
| Molecular Weight | 2485.57 g/mol |
| Exact Mass | 2483.74 |
| IUPAC Name | tert-butyl 2-[5-amino-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3-fluorophenyl)methyl]pyrazole-4-carbonyl]amino]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[6-methyl-5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;3-iodo-6-methyl-5-nitro-1H-pyridin-2-one;3-iodo-6-methyl-5-nitro-1-(2-trimethylsilylethoxymethyl)pyridin-2-one;6-methyl-5-nitro-1H-pyridin-2-one |
| SMILES | Cc1[nH]c(=O)c(I)cc1[N+](=O)[O-].Cc1[nH]c(=O)ccc1[N+](=O)[O-].Cc1c(N)cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n1COCC[Si](C)(C)C.Cc1c(NC(=O)c2cnn(Cc3cccc(F)c3)c2)cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n1COCC[Si](C)(C)C.Cc1c([N+](=O)[O-])cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n1COCC[Si](C)(C)C.Cc1c([N+](=O)[O-])cc(I)c(=O)n1COCC[Si](C)(C)C |
| InChI | InChI=1S/C36H42FN5O5Si.C25H33N3O6Si.C25H35N3O4Si.C12H19IN2O4Si.C6H5IN2O3.C6H6N2O3/c1-24-30(39-33(43)27-20-38-40(22-27)21-25-11-10-13-28(37)17-25)19-29(34(44)41(24)23-46-15-16-48(5,6)7)32-18-26-12-8-9-14-31(26)42(32)35(45)47-36(2,3)4;1-17-21(28(31)32)15-19(23(29)26(17)16-33-12-13-35(5,6)7)22-14-18-10-8-9-11-20(18)27(22)24(30)34-25(2,3)4;1-17-20(26)15-19(23(29)27(17)16-31-12-13-33(5,6)7)22-14-18-10-8-9-11-21(18)28(22)24(30)32-25(2,3)4;1-9-11(15(17)18)7-10(13)12(16)14(9)8-19-5-6-20(2,3)4;1-3-5(9(11)12)2-4(7)6(10)8-3;1-4-5(8(10)11)2-3-6(9)7-4/h8-14,17-20,22H,15-16,21,23H2,1-7H3,(H,39,43);8-11,14-15H,12-13,16H2,1-7H3;8-11,14-15H,12-13,16,26H2,1-7H3;7H,5-6,8H2,1-4H3;2H,1H3,(H,8,10);2-3H,1H3,(H,7,9) |
| InChIKey | HVDLZBIHIUACNE-UHFFFAOYSA-N |
| XLogP | 23.52 |
| TPSA | 529.83 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2485.57 |
| LogP ≤ 5 | 23.52 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'} |
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