5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C44H51N7O7 — CID 154672229

About 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154672229) has the molecular formula C44H51N7O7 and a molecular weight of 789.93 g/mol. Its IUPAC name is 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 154672229
• Molecular Formula: C44H51N7O7
• Molecular Weight: 789.93 g/mol
• Exact Mass: 789.38
• IUPAC Name: 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CCCCN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C44H51N7O7/c1-47(25-35-37(57-3)21-28(22-38(35)58-4)34-26-48(2)41(54)33-24-45-15-11-30(33)34)16-5-6-17-49-18-12-44(13-19-49)14-20-50(27-44)29-7-8-31-32(23-29)43(56)51(42(31)55)36-9-10-39(52)46-40(36)53/h7-8,11,15,21-24,26,36H,5-6,9-10,12-14,16-20,25,27H2,1-4H3,(H,46,52,53)
• InChIKey: WMCULXPJQCRLMI-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 146.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.93
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154672229) is 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CCCCN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is WMCULXPJQCRLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H51N7O7/c1-47(25-35-37(57-3)21-28(22-38(35)58-4)34-26-48(2)41(54)33-24-45-15-11-30(33)34)16-5-6-17-49-18-12-44(13-19-49)14-20-50(27-44)29-7-8-31-32(23-29)43(56)51(42(31)55)36-9-10-39(52)46-40(36)53/h7-8,11,15,21-24,26,36H,5-6,9-10,12-14,16-20,25,27H2,1-4H3,(H,46,52,53).

What are the key properties of 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 789.93 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154672229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).