6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
C161H134Cl7F3N26O7 — CID 157318251
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one (PubChem CID 157318251) has the molecular formula C161H134Cl7F3N26O7 and a molecular weight of 2850.18 g/mol. Its IUPAC name is 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one.
Molecular Properties
| Compound Name | 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one |
|---|---|
| PubChem CID | 157318251 |
| Molecular Formula | C161H134Cl7F3N26O7 |
| Molecular Weight | 2850.18 g/mol |
| Exact Mass | 2844.87 |
| IUPAC Name | 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one |
| SMILES | Cc1cccc(-c2cc(=O)n(C)c3ccc([C@](Cl)(c4ccc(Cl)cc4)c4cncn4C)nc23)c1.Cc1cccc(-c2cc(=O)n(C)c3ccc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)nc23)c1.Cc1cccc(-c2cc(=O)n(C)c3ccc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)nc23)c1.Cc1cccc(-c2cc(=O)n(C)c3cnc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1cccc(-c2cc(=O)n(C)c3cnc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(F)c3)cc(=O)n(C)c2cn1 |
| InChI | InChI=1S/C27H22Cl2N4O.2C27H22ClFN4O.2C27H24ClN5O.C26H20ClFN4O2/c1-17-5-4-6-18(13-17)21-14-25(34)33(3)22-11-12-23(31-26(21)22)27(29,24-15-30-16-32(24)2)19-7-9-20(28)10-8-19;1-17-5-4-6-18(11-17)21-13-26(34)33(3)23-14-31-24(12-22(21)23)27(29,25-15-30-16-32(25)2)19-7-9-20(28)10-8-19;1-17-5-4-6-18(13-17)21-14-25(34)33(3)22-11-12-23(31-26(21)22)27(29,24-15-30-16-32(24)2)19-7-9-20(28)10-8-19;1-17-5-4-6-18(11-17)21-13-26(34)33(3)23-14-31-24(12-22(21)23)27(29,25-15-30-16-32(25)2)19-7-9-20(28)10-8-19;1-17-5-4-6-18(13-17)21-14-25(34)33(3)22-11-12-23(31-26(21)22)27(29,24-15-30-16-32(24)2)19-7-9-20(28)10-8-19;1-31-15-29-14-24(31)26(34,17-6-8-18(27)9-7-17)23-11-21-20(16-4-3-5-19(28)10-16)12-25(33)32(2)22(21)13-30-23/h3*4-16H,1-3H3;2*4-16H,29H2,1-3H3;3-15,34H,1-2H3/t5*27-;26-/m111111/s1 |
| InChIKey | BDVZDWGXFQIPIQ-LDTUKFQBSA-N |
| XLogP | 30.44 |
| TPSA | 388.53 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 204 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2850.18 |
| LogP ≤ 5 | 30.44 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 33 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 157318251 — identifiers, structure, computed properties (public domain)
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