6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
C160H119Cl9FN29O9 — CID 157241451
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 157241451) has the molecular formula C160H119Cl9FN29O9 and a molecular weight of 2929.98 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.
Molecular Properties
| Compound Name | 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one |
|---|---|
| PubChem CID | 157241451 |
| Molecular Formula | C160H119Cl9FN29O9 |
| Molecular Weight | 2929.98 g/mol |
| Exact Mass | 2923.69 |
| IUPAC Name | 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one |
| SMILES | C#Cc1cccc(-c2cc(=O)n(C)c3ccc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)nc23)n1.C#Cc1cccc(-c2cc(=O)n(C)c3cnc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)n1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)n1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)n1.Cn1cncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C |
| InChI | InChI=1S/C27H21ClN6O.3C27H20ClN5O2.C26H19Cl3N4O.C26H19Cl2FN4O/c1-4-20-6-5-7-23(32-20)21-13-25(35)34(3)26-22(21)12-18(14-31-26)27(29,24-15-30-16-33(24)2)17-8-10-19(28)11-9-17;1-4-20-6-5-7-23(31-20)21-13-25(34)33(3)26-22(21)12-18(14-30-26)27(35,24-15-29-16-32(24)2)17-8-10-19(28)11-9-17;1-4-19-6-5-7-22(31-19)20-13-26(34)33(3)23-14-30-24(12-21(20)23)27(35,25-15-29-16-32(25)2)17-8-10-18(28)11-9-17;1-4-19-6-5-7-21(30-19)20-14-25(34)33(3)22-12-13-23(31-26(20)22)27(35,24-15-29-16-32(24)2)17-8-10-18(28)11-9-17;1-32-15-30-14-24(32)26(29,17-6-8-18(27)9-7-17)23-11-21-20(16-4-3-5-19(28)10-16)12-25(34)33(2)22(21)13-31-23;1-32-15-30-14-23(32)26(29,17-6-8-18(27)9-7-17)22-11-10-21-25(31-22)20(13-24(34)33(21)2)16-4-3-5-19(28)12-16/h1,5-16H,29H2,2-3H3;3*1,5-16,35H,2-3H3;2*3-15H,1-2H3/t4*27-;2*26-/m111111/s1 |
| InChIKey | AVGNQGWXRJEIJO-UKDYEVHDSA-N |
| XLogP | 26.63 |
| TPSA | 454.53 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 208 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2929.98 |
| LogP ≤ 5 | 26.63 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 38 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 157241451 — identifiers, structure, computed properties (public domain)
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