N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate

C51H44BrF2N7O9 — CID 158119162

About N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate

N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 158119162) has the molecular formula C51H44BrF2N7O9 and a molecular weight of 1016.85 g/mol. Its IUPAC name is N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate
• PubChem CID: 158119162
• Molecular Formula: C51H44BrF2N7O9
• Molecular Weight: 1016.85 g/mol
• Exact Mass: 1015.24
• IUPAC Name: N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CCCN2C(=O)c3ccccc3C2=O)c1=O.O=C(NC1CC1)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCCN3
• InChI: InChI=1S/C29H23BrFN3O6.C22H21FN4O3/c1-2-40-29(39)21-25(35)23-24(22(30)17(15-32-23)14-16-8-10-18(31)11-9-16)33(28(21)38)12-5-13-34-26(36)19-6-3-4-7-20(19)27(34)37;23-14-4-2-12(3-5-14)10-13-11-25-18-19-17(13)24-8-1-9-27(19)22(30)16(20(18)28)21(29)26-15-6-7-15/h3-4,6-11,15,35H,2,5,12-14H2,1H3;2-5,11,15,24,28H,1,6-10H2,(H,26,29)
• InChIKey: FRJWFQFCNWMSHT-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 215.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1016.85
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate?

The IUPAC name of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate (CID 158119162) is N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate.

What is the SMILES notation for N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate?

The canonical SMILES for N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CCCN2C(=O)c3ccccc3C2=O)c1=O.O=C(NC1CC1)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCCN3.

What is the InChIKey of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate?

The InChIKey is FRJWFQFCNWMSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23BrFN3O6.C22H21FN4O3/c1-2-40-29(39)21-25(35)23-24(22(30)17(15-32-23)14-16-8-10-18(31)11-9-16)33(28(21)38)12-5-13-34-26(36)19-6-3-4-7-20(19)27(34)37;23-14-4-2-12(3-5-14)10-13-11-25-18-19-17(13)24-8-1-9-27(19)22(30)16(20(18)28)21(29)26-15-6-7-15/h3-4,6-11,15,35H,2,5,12-14H2,1H3;2-5,11,15,24,28H,1,6-10H2,(H,26,29).

What are the key properties of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate?

N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 1016.85 g/mol, XLogP of 7.00, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 158119162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).