1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one

C46H55BrF2N6O6Si2 — CID 158889917

About 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one

1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one (PubChem CID 158889917) has the molecular formula C46H55BrF2N6O6Si2 and a molecular weight of 962.05 g/mol. Its IUPAC name is 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one.

Molecular Properties

• Compound Name: 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
• PubChem CID: 158889917
• Molecular Formula: C46H55BrF2N6O6Si2
• Molecular Weight: 962.05 g/mol
• Exact Mass: 960.29
• IUPAC Name: 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
• SMILES: C[Si](C)(C)CCOCON1CCc2c(ncc3c2c(Br)cn3Cc2ccc(F)cc2)C1=O.C[Si](C)(C)CCOCON1CCc2c(ncc3c2ccn3Cc2ccc(F)cc2)C1=O
• InChI: InChI=1S/C23H27BrFN3O3Si.C23H28FN3O3Si/c1-32(2,3)11-10-30-15-31-28-9-8-18-21-19(24)14-27(13-16-4-6-17(25)7-5-16)20(21)12-26-22(18)23(28)29;1-31(2,3)13-12-29-16-30-27-11-9-20-19-8-10-26(15-17-4-6-18(24)7-5-17)21(19)14-25-22(20)23(27)28/h4-7,12,14H,8-11,13,15H2,1-3H3;4-8,10,14H,9,11-13,15-16H2,1-3H3
• InChIKey: JECDMGOFHHHPMM-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 113.18 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.05
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?

The IUPAC name of 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one (CID 158889917) is 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one.

What is the SMILES notation for 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?

The canonical SMILES for 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one is C[Si](C)(C)CCOCON1CCc2c(ncc3c2c(Br)cn3Cc2ccc(F)cc2)C1=O.C[Si](C)(C)CCOCON1CCc2c(ncc3c2ccn3Cc2ccc(F)cc2)C1=O.

What is the InChIKey of 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?

The InChIKey is JECDMGOFHHHPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrFN3O3Si.C23H28FN3O3Si/c1-32(2,3)11-10-30-15-31-28-9-8-18-21-19(24)14-27(13-16-4-6-17(25)7-5-16)20(21)12-26-22(18)23(28)29;1-31(2,3)13-12-29-16-30-27-11-9-20-19-8-10-26(15-17-4-6-18(24)7-5-17)21(19)14-25-22(20)23(27)28/h4-7,12,14H,8-11,13,15H2,1-3H3;4-8,10,14H,9,11-13,15-16H2,1-3H3.

What are the key properties of 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?

1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one has a molecular weight of 962.05 g/mol, XLogP of 9.69, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one is sourced from PubChem (CID 158889917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).