C92H82N24O7 — CID 157153107
N-ethylimidazo[1,2-c]pyrimidine-2-carboxamide;6-ethyl-5-nitropyrrolo[1,2-c]pyrimidine;ethyl 6-phenylpyrrolo[1,2-c]pyrimidine-5-carboxylate;6-isocyano-2-methylimidazo[1,2-a]pyridine;methyl imidazo[1,2-a]pyridine-2-carboxylate;2-methylimidazo[1,2-c]pyrimidine;6-methylpyrrolo[1,2-c]pyrimidine;2-phenylimidazo[1,2-a]pyridine;2-phenylimidazo[1,2-c]pyrimidine (PubChem CID 157153107) has the molecular formula C92H82N24O7 and a molecular weight of 1635.83 g/mol. Its IUPAC name is N-ethylimidazo[1,2-c]pyrimidine-2-carboxamide;6-ethyl-5-nitropyrrolo[1,2-c]pyrimidine;ethyl 6-phenylpyrrolo[1,2-c]pyrimidine-5-carboxylate;6-isocyano-2-methylimidazo[1,2-a]pyridine;methyl imidazo[1,2-a]pyridine-2-carboxylate;2-methylimidazo[1,2-c]pyrimidine;6-methylpyrrolo[1,2-c]pyrimidine;2-phenylimidazo[1,2-a]pyridine;2-phenylimidazo[1,2-c]pyrimidine.
| Compound Name | N-ethylimidazo[1,2-c]pyrimidine-2-carboxamide;6-ethyl-5-nitropyrrolo[1,2-c]pyrimidine;ethyl 6-phenylpyrrolo[1,2-c]pyrimidine-5-carboxylate;6-isocyano-2-methylimidazo[1,2-a]pyridine;methyl imidazo[1,2-a]pyridine-2-carboxylate;2-methylimidazo[1,2-c]pyrimidine;6-methylpyrrolo[1,2-c]pyrimidine;2-phenylimidazo[1,2-a]pyridine;2-phenylimidazo[1,2-c]pyrimidine |
|---|---|
| PubChem CID | 157153107 |
| Molecular Formula | C92H82N24O7 |
| Molecular Weight | 1635.83 g/mol |
| Exact Mass | 1634.68 |
| IUPAC Name | N-ethylimidazo[1,2-c]pyrimidine-2-carboxamide;6-ethyl-5-nitropyrrolo[1,2-c]pyrimidine;ethyl 6-phenylpyrrolo[1,2-c]pyrimidine-5-carboxylate;6-isocyano-2-methylimidazo[1,2-a]pyridine;methyl imidazo[1,2-a]pyridine-2-carboxylate;2-methylimidazo[1,2-c]pyrimidine;6-methylpyrrolo[1,2-c]pyrimidine;2-phenylimidazo[1,2-a]pyridine;2-phenylimidazo[1,2-c]pyrimidine |
| SMILES | CCNC(=O)c1cn2cnccc2n1.CCOC(=O)c1c(-c2ccccc2)cn2cnccc12.CCc1cn2cnccc2c1[N+](=O)[O-].COC(=O)c1cn2ccccc2n1.Cc1cc2ccncn2c1.Cc1cn2cnccc2n1.[C-]#[N+]c1ccc2nc(C)cn2c1.c1ccc(-c2cn3ccccc3n2)cc1.c1ccc(-c2cn3cnccc3n2)cc1 |
| InChI | InChI=1S/C16H14N2O2.C13H10N2.C12H9N3.C9H10N4O.C9H9N3O2.C9H7N3.C9H8N2O2.C8H8N2.C7H7N3/c1-2-20-16(19)15-13(12-6-4-3-5-7-12)10-18-11-17-9-8-14(15)18;1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12;1-2-4-10(5-3-1)11-8-15-9-13-7-6-12(15)14-11;1-2-11-9(14)7-5-13-6-10-4-3-8(13)12-7;1-2-7-5-11-6-10-4-3-8(11)9(7)12(13)14;1-7-5-12-6-8(10-2)3-4-9(12)11-7;1-13-9(12)7-6-11-5-3-2-4-8(11)10-7;1-7-4-8-2-3-9-6-10(8)5-7;1-6-4-10-5-8-3-2-7(10)9-6/h3-11H,2H2,1H3;1-10H;1-9H;3-6H,2H2,1H3,(H,11,14);3-6H,2H2,1H3;3-6H,1H3;2-6H,1H3;2-6H,1H3;2-5H,1H3 |
| InChIKey | ALMHXVBTDYIJDT-UHFFFAOYSA-N |
| XLogP | 16.85 |
| TPSA | 323.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 123 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1635.83 |
| LogP ≤ 5 | 16.85 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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