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

C90H76Br2F3N11O16 — CID 157076702

About 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (PubChem CID 157076702) has the molecular formula C90H76Br2F3N11O16 and a molecular weight of 1784.46 g/mol. Its IUPAC name is 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
• PubChem CID: 157076702
• Molecular Formula: C90H76Br2F3N11O16
• Molecular Weight: 1784.46 g/mol
• Exact Mass: 1781.38
• IUPAC Name: 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
• SMILES: CCOC(=O)C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2c(ncc(Cc3ccc(F)cc3)c2Br)C1O.O=C(NCCOCc1ccccc1)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CCN2C(=O)c3ccccc3C2=O)c1=O.O=C(NCCOCc1ccccc1)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCN3
• InChI: InChI=1S/C35H28BrFN4O6.C28H23BrFN3O6.C27H25FN4O4/c36-28-23(18-21-10-12-24(37)13-11-21)19-39-29-30(28)40(15-16-41-33(44)25-8-4-5-9-26(25)34(41)45)35(46)27(31(29)42)32(43)38-14-17-47-20-22-6-2-1-3-7-22;1-2-39-28(38)20-24(34)22-23(21(29)16(14-31-22)13-15-7-9-17(30)10-8-15)32(27(20)37)11-12-33-25(35)18-5-3-4-6-19(18)26(33)36;28-20-8-6-17(7-9-20)14-19-15-31-23-24-22(19)29-10-12-32(24)27(35)21(25(23)33)26(34)30-11-13-36-16-18-4-2-1-3-5-18/h1-13,19,42H,14-18,20H2,(H,38,43);3-10,14,20,24,34H,2,11-13H2,1H3;1-9,15,29,33H,10-14,16H2,(H,30,34)
• InChIKey: ADBBPLWNJBWZAE-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 353.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1784.46
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (CID 157076702) is 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is CCOC(=O)C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2c(ncc(Cc3ccc(F)cc3)c2Br)C1O.O=C(NCCOCc1ccccc1)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CCN2C(=O)c3ccccc3C2=O)c1=O.O=C(NCCOCc1ccccc1)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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

The InChIKey is ADBBPLWNJBWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28BrFN4O6.C28H23BrFN3O6.C27H25FN4O4/c36-28-23(18-21-10-12-24(37)13-11-21)19-39-29-30(28)40(15-16-41-33(44)25-8-4-5-9-26(25)34(41)45)35(46)27(31(29)42)32(43)38-14-17-47-20-22-6-2-1-3-7-22;1-2-39-28(38)20-24(34)22-23(21(29)16(14-31-22)13-15-7-9-17(30)10-8-15)32(27(20)37)11-12-33-25(35)18-5-3-4-6-19(18)26(33)36;28-20-8-6-17(7-9-20)14-19-15-31-23-24-22(19)29-10-12-32(24)27(35)21(25(23)33)26(34)30-11-13-36-16-18-4-2-1-3-5-18/h1-13,19,42H,14-18,20H2,(H,38,43);3-10,14,20,24,34H,2,11-13H2,1H3;1-9,15,29,33H,10-14,16H2,(H,30,34).

What are the key properties of 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide has a molecular weight of 1784.46 g/mol, XLogP of 11.47, 26 rotatable bonds, 6 hydrogen bond donors, and 22 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-2-oxo-N-(2-phenylmethoxyethyl)-1,5-naphthyridine-3-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-(2-phenylmethoxyethyl)-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is sourced from PubChem (CID 157076702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).