1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C59H41Br3F10N10O9 — CID 157298290

About 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 157298290) has the molecular formula C59H41Br3F10N10O9 and a molecular weight of 1463.73 g/mol. Its IUPAC name is 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
• PubChem CID: 157298290
• Molecular Formula: C59H41Br3F10N10O9
• Molecular Weight: 1463.73 g/mol
• Exact Mass: 1460.04
• IUPAC Name: 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(Cc2cccc(Br)n2)c2nc(C(F)(F)F)ccc2c1=O.CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2nc(C(F)(F)F)ccc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3nc(C(F)(F)F)ccc3c2=O)cc1F
• InChI: InChI=1S/C23H14BrF4N3O3.C18H14BrF3N4O3.C18H13BrF3N3O3/c1-34-17-7-5-12(9-16(17)25)20(32)15-11-31(10-13-3-2-4-19(24)29-13)22-14(21(15)33)6-8-18(30-22)23(26,27)28;1-25(29-2)17(28)12-9-26(8-10-4-3-5-14(19)23-10)16-11(15(12)27)6-7-13(24-16)18(20,21)22;1-2-28-17(27)12-9-25(8-10-4-3-5-14(19)23-10)16-11(15(12)26)6-7-13(24-16)18(20,21)22/h2-9,11H,10H2,1H3;3-7,9H,8H2,1-2H3;3-7,9H,2,8H2,1H3
• InChIKey: BBPCBUZPQPAMPM-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 225.48 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.73
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

The IUPAC name of 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 157298290) is 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2cccc(Br)n2)c2nc(C(F)(F)F)ccc2c1=O.CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2nc(C(F)(F)F)ccc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3nc(C(F)(F)F)ccc3c2=O)cc1F.

What is the InChIKey of 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

The InChIKey is BBPCBUZPQPAMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrF4N3O3.C18H14BrF3N4O3.C18H13BrF3N3O3/c1-34-17-7-5-12(9-16(17)25)20(32)15-11-31(10-13-3-2-4-19(24)29-13)22-14(21(15)33)6-8-18(30-22)23(26,27)28;1-25(29-2)17(28)12-9-26(8-10-4-3-5-14(19)23-10)16-11(15(12)27)6-7-13(24-16)18(20,21)22;1-2-28-17(27)12-9-25(8-10-4-3-5-14(19)23-10)16-11(15(12)26)6-7-13(24-16)18(20,21)22/h2-9,11H,10H2,1H3;3-7,9H,8H2,1-2H3;3-7,9H,2,8H2,1H3.

What are the key properties of 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 1463.73 g/mol, XLogP of 12.05, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 157298290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).