C125H146Cl3N25O12S — CID 159829755
N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide (PubChem CID 159829755) has the molecular formula C125H146Cl3N25O12S and a molecular weight of 2329.13 g/mol. Its IUPAC name is N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide.
| Compound Name | N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide |
|---|---|
| PubChem CID | 159829755 |
| Molecular Formula | C125H146Cl3N25O12S |
| Molecular Weight | 2329.13 g/mol |
| Exact Mass | 2326.04 |
| IUPAC Name | N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide |
| SMILES | CCC(O)(CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C(C)(C)C)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1(C)CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2cccnc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3nccs3)n(C(C)(C)C)c2n1 |
| InChI | InChI=1S/C22H25ClN4O2.C22H26N4O2.C21H23ClN4O2.C21H25ClN4O2.C21H24N4O2.C18H23N5O2S/c1-3-22(29,15-8-5-4-6-9-15)14-18(28)26-20-24-16-10-11-17(23)25-19(16)27(20)21(2)12-7-13-21;1-3-22(28,16-8-5-4-6-9-16)14-19(27)25-21-24-18-13-12-15(2)23-20(18)26(21)17-10-7-11-17;1-2-21(28,14-7-4-3-5-8-14)13-18(27)25-20-23-16-11-12-17(22)24-19(16)26(20)15-9-6-10-15;1-5-21(28,14-9-7-6-8-10-14)13-17(27)25-19-23-15-11-12-16(22)24-18(15)26(19)20(2,3)4;1-2-21(27,15-8-4-3-5-9-15)14-18(26)24-20-23-17-12-7-13-22-19(17)25(20)16-10-6-11-16;1-11-6-7-12-14(20-11)23(17(2,3)4)16(21-12)22-13(24)10-18(5,25)15-19-8-9-26-15/h4-6,8-11,29H,3,7,12-14H2,1-2H3,(H,24,26,28);4-6,8-9,12-13,17,28H,3,7,10-11,14H2,1-2H3,(H,24,25,27);3-5,7-8,11-12,15,28H,2,6,9-10,13H2,1H3,(H,23,25,27);6-12,28H,5,13H2,1-4H3,(H,23,25,27);3-5,7-9,12-13,16,27H,2,6,10-11,14H2,1H3,(H,23,24,26);6-9,25H,10H2,1-5H3,(H,21,22,24)/t;;;;;18-/m.....0/s1 |
| InChIKey | NNHRGPNEULJENH-HFKBKPLSSA-N |
| XLogP | 24.57 |
| TPSA | 493.13 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2329.13 |
| LogP ≤ 5 | 24.57 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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