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

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 157318251) 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.

What is the InChIKey of 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?

The InChIKey is BDVZDWGXFQIPIQ-LDTUKFQBSA-N. The full InChI is 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.

What are the key properties of 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 has a molecular weight of 2850.18 g/mol, XLogP of 30.44, 24 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157318251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).