6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one

C150H113Cl13F2N32O7 — CID 157485088

About 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one

6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one (PubChem CID 157485088) has the molecular formula C150H113Cl13F2N32O7 and a molecular weight of 2974.66 g/mol. Its IUPAC name is 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
• PubChem CID: 157485088
• Molecular Formula: C150H113Cl13F2N32O7
• Molecular Weight: 2974.66 g/mol
• Exact Mass: 2966.54
• IUPAC Name: 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
• SMILES: Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](N)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1
• InChI: InChI=1S/C25H18Cl3N5O.2C25H18Cl2FN5O.2C25H20Cl2N6O.C25H19Cl2N5O2/c2*1-32-21-13-29-22(11-20(21)19(12-24(32)34)15-4-3-5-18(27)10-15)25(28,23-14-30-31-33(23)2)16-6-8-17(26)9-7-16;1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16;1-32-21-13-29-22(11-20(21)19(12-24(32)34)15-4-3-5-18(27)10-15)25(28,23-14-30-31-33(23)2)16-6-8-17(26)9-7-16;1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16;1-31-21-13-28-22(11-20(21)19(12-24(31)33)15-4-3-5-18(27)10-15)25(34,23-14-29-30-32(23)2)16-6-8-17(26)9-7-16/h3*3-14H,1-2H3;2*3-14H,28H2,1-2H3;3-14,34H,1-2H3/t6*25-/m111111/s1
• InChIKey: BWPQOCXSHOGJGF-NVJGGPJISA-N
• XLogP: 29.05
• TPSA: 465.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2974.66
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

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-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?

The IUPAC name of 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one (CID 157485088) is 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one.

What is the SMILES notation for 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?

The canonical SMILES for 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one is Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](N)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.

What is the InChIKey of 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?

The InChIKey is BWPQOCXSHOGJGF-NVJGGPJISA-N. The full InChI is InChI=1S/C25H18Cl3N5O.2C25H18Cl2FN5O.2C25H20Cl2N6O.C25H19Cl2N5O2/c2*1-32-21-13-29-22(11-20(21)19(12-24(32)34)15-4-3-5-18(27)10-15)25(28,23-14-30-31-33(23)2)16-6-8-17(26)9-7-16;1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16;1-32-21-13-29-22(11-20(21)19(12-24(32)34)15-4-3-5-18(27)10-15)25(28,23-14-30-31-33(23)2)16-6-8-17(26)9-7-16;1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16;1-31-21-13-28-22(11-20(21)19(12-24(31)33)15-4-3-5-18(27)10-15)25(34,23-14-29-30-32(23)2)16-6-8-17(26)9-7-16/h3*3-14H,1-2H3;2*3-14H,28H2,1-2H3;3-14,34H,1-2H3/t6*25-/m111111/s1.

What are the key properties of 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?

6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one has a molecular weight of 2974.66 g/mol, XLogP of 29.05, 24 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one is sourced from PubChem (CID 157485088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).