3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C39H42N6O6 — CID 167395397

About 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167395397) has the molecular formula C39H42N6O6 and a molecular weight of 690.80 g/mol. Its IUPAC name is 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167395397
• Molecular Formula: C39H42N6O6
• Molecular Weight: 690.80 g/mol
• Exact Mass: 690.32
• IUPAC Name: 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CCc1cc(-c2c[nH]c(=O)c3cnc(CO)cc23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2
• InChI: InChI=1S/C39H42N6O6/c1-3-23-12-25(30-16-41-36(48)31-17-40-26(20-46)14-29(30)31)13-34(51-2)32(23)19-43-10-8-39(9-11-43)21-44(22-39)27-5-4-24-18-45(38(50)28(24)15-27)33-6-7-35(47)42-37(33)49/h4-5,12-17,33,46H,3,6-11,18-22H2,1-2H3,(H,41,48)(H,42,47,49)
• InChIKey: LMATYIUPTRUUIA-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 148.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.80
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167395397) is 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CCc1cc(-c2c[nH]c(=O)c3cnc(CO)cc23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2.

What is the InChIKey of 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is LMATYIUPTRUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N6O6/c1-3-23-12-25(30-16-41-36(48)31-17-40-26(20-46)14-29(30)31)13-34(51-2)32(23)19-43-10-8-39(9-11-43)21-44(22-39)27-5-4-24-18-45(38(50)28(24)15-27)33-6-7-35(47)42-37(33)49/h4-5,12-17,33,46H,3,6-11,18-22H2,1-2H3,(H,41,48)(H,42,47,49).

What are the key properties of 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 690.80 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[7-[[2-ethyl-4-[6-(hydroxymethyl)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167395397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).