6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one

C50H36Cl5FN10O2 — CID 161318736

About 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one

6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one (PubChem CID 161318736) has the molecular formula C50H36Cl5FN10O2 and a molecular weight of 1005.17 g/mol. Its IUPAC name is 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
• PubChem CID: 161318736
• Molecular Formula: C50H36Cl5FN10O2
• Molecular Weight: 1005.17 g/mol
• Exact Mass: 1002.14
• IUPAC Name: 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
• SMILES: Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
• InChI: InChI=1S/C25H18Cl3N5O.C25H18Cl2FN5O/c2*1-32-23(34)12-20(15-4-3-5-19(27)10-15)21-11-17(13-29-24(21)32)25(28,22-14-30-31-33(22)2)16-6-8-18(26)9-7-16/h2*3-14H,1-2H3/t2*25-/m11/s1
• InChIKey: VJVULLLGJKSLPY-PYZOFXEKSA-N
• XLogP: 10.86
• TPSA: 131.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1005.17
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?

The IUPAC name of 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one (CID 161318736) is 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one.

What is the SMILES notation for 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?

The canonical SMILES for 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one is Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.

What is the InChIKey of 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?

The InChIKey is VJVULLLGJKSLPY-PYZOFXEKSA-N. The full InChI is InChI=1S/C25H18Cl3N5O.C25H18Cl2FN5O/c2*1-32-23(34)12-20(15-4-3-5-19(27)10-15)21-11-17(13-29-24(21)32)25(28,22-14-30-31-33(22)2)16-6-8-18(26)9-7-16/h2*3-14H,1-2H3/t2*25-/m11/s1.

What are the key properties of 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?

6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 1005.17 g/mol, XLogP of 10.86, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 161318736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).