5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C39H44N6O7 — CID 154672600

About 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154672600) has the molecular formula C39H44N6O7 and a molecular weight of 708.82 g/mol. Its IUPAC name is 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 154672600
• Molecular Formula: C39H44N6O7
• Molecular Weight: 708.82 g/mol
• Exact Mass: 708.33
• IUPAC Name: 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2ccc(=O)n(C)c2)cc(OC)c1CN1CC(CN2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)C1
• InChI: InChI=1S/C39H44N6O7/c1-41-20-25(4-9-35(41)47)26-14-32(51-2)30(33(15-26)52-3)21-43-18-24(19-43)17-42-12-10-39(11-13-42)22-44(23-39)27-5-6-28-29(16-27)38(50)45(37(28)49)31-7-8-34(46)40-36(31)48/h4-6,9,14-16,20,24,31H,7-8,10-13,17-19,21-23H2,1-3H3,(H,40,46,48)
• InChIKey: URVOYSAWPBNSRL-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 133.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.82
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
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 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154672600) is 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2ccc(=O)n(C)c2)cc(OC)c1CN1CC(CN2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)C1.

What is the InChIKey of 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is URVOYSAWPBNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N6O7/c1-41-20-25(4-9-35(41)47)26-14-32(51-2)30(33(15-26)52-3)21-43-18-24(19-43)17-42-12-10-39(11-13-42)22-44(23-39)27-5-6-28-29(16-27)38(50)45(37(28)49)31-7-8-34(46)40-36(31)48/h4-6,9,14-16,20,24,31H,7-8,10-13,17-19,21-23H2,1-3H3,(H,40,46,48).

What are the key properties of 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 708.82 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[[1-[[2,6-dimethoxy-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154672600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).