2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione

C35H33N5O7 — CID 154672424

About 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione (PubChem CID 154672424) has the molecular formula C35H33N5O7 and a molecular weight of 635.68 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione
• PubChem CID: 154672424
• Molecular Formula: C35H33N5O7
• Molecular Weight: 635.68 g/mol
• Exact Mass: 635.24
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione
• SMILES: CCc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C35H33N5O7/c1-4-19-11-20(27-17-38(2)33(43)26-14-36-10-9-23(26)27)12-30(46-3)28(19)18-39-15-22(16-39)47-21-5-6-24-25(13-21)35(45)40(34(24)44)29-7-8-31(41)37-32(29)42/h5-6,9-14,17,22,29H,4,7-8,15-16,18H2,1-3H3,(H,37,41,42)
• InChIKey: SVQVRCMOWHXPMY-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 140.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.68
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione (CID 154672424) is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione is CCc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione?

The InChIKey is SVQVRCMOWHXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O7/c1-4-19-11-20(27-17-38(2)33(43)26-14-36-10-9-23(26)27)12-30(46-3)28(19)18-39-15-22(16-39)47-21-5-6-24-25(13-21)35(45)40(34(24)44)29-7-8-31(41)37-32(29)42/h5-6,9-14,17,22,29H,4,7-8,15-16,18H2,1-3H3,(H,37,41,42).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione has a molecular weight of 635.68 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[2-ethyl-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 154672424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).