8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

C48H41BrF2N8O10 — CID 161349865

About 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (PubChem CID 161349865) has the molecular formula C48H41BrF2N8O10 and a molecular weight of 1007.80 g/mol. Its IUPAC name is 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.

Molecular Properties

• Compound Name: 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
• PubChem CID: 161349865
• Molecular Formula: C48H41BrF2N8O10
• Molecular Weight: 1007.80 g/mol
• Exact Mass: 1006.21
• IUPAC Name: 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
• SMILES: O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CCN2C(=O)c3ccccc3C2=O)c1=O.O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCN3
• InChI: InChI=1S/C28H22BrFN4O6.C20H19FN4O4/c29-21-16(13-15-5-7-17(30)8-6-15)14-32-22-23(21)33(28(40)20(24(22)36)25(37)31-9-12-35)10-11-34-26(38)18-3-1-2-4-19(18)27(34)39;21-13-3-1-11(2-4-13)9-12-10-24-16-17-15(12)22-5-7-25(17)20(29)14(18(16)27)19(28)23-6-8-26/h1-8,14,35-36H,9-13H2,(H,31,37);1-4,10,22,26-27H,5-9H2,(H,23,28)
• InChIKey: VNUDNOQHHQYQEO-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 258.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.80
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

The IUPAC name of 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (CID 161349865) is 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.

What is the SMILES notation for 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

The canonical SMILES for 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CCN2C(=O)c3ccccc3C2=O)c1=O.O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCN3.

What is the InChIKey of 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

The InChIKey is VNUDNOQHHQYQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BrFN4O6.C20H19FN4O4/c29-21-16(13-15-5-7-17(30)8-6-15)14-32-22-23(21)33(28(40)20(24(22)36)25(37)31-9-12-35)10-11-34-26(38)18-3-1-2-4-19(18)27(34)39;21-13-3-1-11(2-4-13)9-12-10-24-16-17-15(12)22-5-7-25(17)20(29)14(18(16)27)19(28)23-6-8-26/h1-8,14,35-36H,9-13H2,(H,31,37);1-4,10,22,26-27H,5-9H2,(H,23,28).

What are the key properties of 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide has a molecular weight of 1007.80 g/mol, XLogP of 3.59, 13 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is sourced from PubChem (CID 161349865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).