3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C47H55N7O7 — CID 167395291

About 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167395291) has the molecular formula C47H55N7O7 and a molecular weight of 830.00 g/mol. Its IUPAC name is 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167395291
• Molecular Formula: C47H55N7O7
• Molecular Weight: 830.00 g/mol
• Exact Mass: 829.42
• IUPAC Name: 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2c[nH]c(=O)c3cnc(N4CCC4)cc23)cc(OC)c1CN1CCC(CN2CCC3(CC2)CC(Oc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4)C3)CC1
• InChI: InChI=1S/C47H55N7O7/c1-59-40-18-31(36-24-49-44(56)37-25-48-42(21-35(36)37)53-12-3-13-53)19-41(60-2)38(40)28-51-14-8-29(9-15-51)26-52-16-10-47(11-17-52)22-33(23-47)61-32-5-4-30-27-54(46(58)34(30)20-32)39-6-7-43(55)50-45(39)57/h4-5,18-21,24-25,29,33,39H,3,6-17,22-23,26-28H2,1-2H3,(H,49,56)(H,50,55,57)
• InChIKey: GUPDJNUOMBNGLJ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 149.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	830.00
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167395291) is 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2c[nH]c(=O)c3cnc(N4CCC4)cc23)cc(OC)c1CN1CCC(CN2CCC3(CC2)CC(Oc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4)C3)CC1.

What is the InChIKey of 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is GUPDJNUOMBNGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55N7O7/c1-59-40-18-31(36-24-49-44(56)37-25-48-42(21-35(36)37)53-12-3-13-53)19-41(60-2)38(40)28-51-14-8-29(9-15-51)26-52-16-10-47(11-17-52)22-33(23-47)61-32-5-4-30-27-54(46(58)34(30)20-32)39-6-7-43(55)50-45(39)57/h4-5,18-21,24-25,29,33,39H,3,6-17,22-23,26-28H2,1-2H3,(H,49,56)(H,50,55,57).

What are the key properties of 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 830.00 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[7-[[1-[[4-[6-(azetidin-1-yl)-1-oxo-2H-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167395291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).