C64H78Cl7N19O7 — CID 158926837
6-chloro-3-cyclopentyl-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-cyclopentyl-1-methylimidazo[4,5-b]pyridin-2-one;5-chloro-N-cyclopentyl-3-nitropyridin-2-amine;5-chloro-2-N-cyclopentylpyridine-2,3-diamine;6-chloro-1-methyl-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridin-2-one;cyclopentanamine;2,5-dichloro-3-nitropyridine (PubChem CID 158926837) has the molecular formula C64H78Cl7N19O7 and a molecular weight of 1473.62 g/mol. Its IUPAC name is 6-chloro-3-cyclopentyl-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-cyclopentyl-1-methylimidazo[4,5-b]pyridin-2-one;5-chloro-N-cyclopentyl-3-nitropyridin-2-amine;5-chloro-2-N-cyclopentylpyridine-2,3-diamine;6-chloro-1-methyl-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridin-2-one;cyclopentanamine;2,5-dichloro-3-nitropyridine.
| Compound Name | 6-chloro-3-cyclopentyl-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-cyclopentyl-1-methylimidazo[4,5-b]pyridin-2-one;5-chloro-N-cyclopentyl-3-nitropyridin-2-amine;5-chloro-2-N-cyclopentylpyridine-2,3-diamine;6-chloro-1-methyl-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridin-2-one;cyclopentanamine;2,5-dichloro-3-nitropyridine |
|---|---|
| PubChem CID | 158926837 |
| Molecular Formula | C64H78Cl7N19O7 |
| Molecular Weight | 1473.62 g/mol |
| Exact Mass | 1469.42 |
| IUPAC Name | 6-chloro-3-cyclopentyl-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-cyclopentyl-1-methylimidazo[4,5-b]pyridin-2-one;5-chloro-N-cyclopentyl-3-nitropyridin-2-amine;5-chloro-2-N-cyclopentylpyridine-2,3-diamine;6-chloro-1-methyl-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridin-2-one;cyclopentanamine;2,5-dichloro-3-nitropyridine |
| SMILES | Cn1c(=O)n(C2CCCC2)c2ncc(Cl)cc21.Cn1c(=O)n([C@@H]2CCNC2)c2ncc(Cl)cc21.NC1CCCC1.Nc1cc(Cl)cnc1NC1CCCC1.O=[N+]([O-])c1cc(Cl)cnc1Cl.O=[N+]([O-])c1cc(Cl)cnc1NC1CCCC1.O=c1[nH]c2cc(Cl)cnc2n1C1CCCC1 |
| InChI | InChI=1S/C12H14ClN3O.C11H13ClN4O.C11H12ClN3O.C10H12ClN3O2.C10H14ClN3.C5H2Cl2N2O2.C5H11N/c1-15-10-6-8(13)7-14-11(10)16(12(15)17)9-4-2-3-5-9;1-15-9-4-7(12)5-14-10(9)16(11(15)17)8-2-3-13-6-8;12-7-5-9-10(13-6-7)15(11(16)14-9)8-3-1-2-4-8;11-7-5-9(14(15)16)10(12-6-7)13-8-3-1-2-4-8;11-7-5-9(12)10(13-6-7)14-8-3-1-2-4-8;6-3-1-4(9(10)11)5(7)8-2-3;6-5-3-1-2-4-5/h6-7,9H,2-5H2,1H3;4-5,8,13H,2-3,6H2,1H3;5-6,8H,1-4H2,(H,14,16);5-6,8H,1-4H2,(H,12,13);5-6,8H,1-4,12H2,(H,13,14);1-2H;5H,1-4,6H2/t;8-;;;;;/m.1...../s1 |
| InChIKey | JINYLHWWUPRQSP-YXZVGQBFSA-N |
| XLogP | 14.77 |
| TPSA | 343.40 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 97 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1473.62 |
| LogP ≤ 5 | 14.77 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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