5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C47H56FN7O9 — CID 154671724

About 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 154671724) has the molecular formula C47H56FN7O9 and a molecular weight of 882.00 g/mol. Its IUPAC name is 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 154671724
• Molecular Formula: C47H56FN7O9
• Molecular Weight: 882.00 g/mol
• Exact Mass: 881.41
• IUPAC Name: 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC(CN5CCC6(CC5)CC(Oc5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)c(OC)c3)cn(CF)c(=O)c2C1
• InChI: InChI=1S/C47H56FN7O9/c1-49-46(61)53-15-10-32-35(25-54(27-48)43(58)36(32)26-53)29-18-39(62-2)37(40(19-29)63-3)24-51-13-8-28(9-14-51)23-52-16-11-47(12-17-52)21-31(22-47)64-30-4-5-33-34(20-30)45(60)55(44(33)59)38-6-7-41(56)50-42(38)57/h4-5,18-20,25,28,31,38H,6-17,21-24,26-27H2,1-3H3,(H,49,61)(H,50,56,57)
• InChIKey: MNCXWPITSKHYJV-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 172.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.00
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 154671724) is 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC(CN5CCC6(CC5)CC(Oc5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)c(OC)c3)cn(CF)c(=O)c2C1.

What is the InChIKey of 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is MNCXWPITSKHYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56FN7O9/c1-49-46(61)53-15-10-32-35(25-54(27-48)43(58)36(32)26-53)29-18-39(62-2)37(40(19-29)63-3)24-51-13-8-28(9-14-51)23-52-16-11-47(12-17-52)21-31(22-47)64-30-4-5-33-34(20-30)45(60)55(44(33)59)38-6-7-41(56)50-42(38)57/h4-5,18-20,25,28,31,38H,6-17,21-24,26-27H2,1-3H3,(H,49,61)(H,50,56,57).

What are the key properties of 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 882.00 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-(fluoromethyl)-N-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).