5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C45H50N6O8 — CID 154672415

About 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154672415) has the molecular formula C45H50N6O8 and a molecular weight of 802.93 g/mol. Its IUPAC name is 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 154672415
• Molecular Formula: C45H50N6O8
• Molecular Weight: 802.93 g/mol
• Exact Mass: 802.37
• IUPAC Name: 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(CN2CCC3(CC2)CC(Oc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)CC1
• InChI: InChI=1S/C45H50N6O8/c1-48-25-35(31-8-13-46-23-34(31)42(48)54)28-18-38(57-2)36(39(19-28)58-3)26-49-14-9-27(10-15-49)24-50-16-11-45(12-17-50)21-30(22-45)59-29-4-5-32-33(20-29)44(56)51(43(32)55)37-6-7-40(52)47-41(37)53/h4-5,8,13,18-20,23,25,27,30,37H,6-7,9-12,14-17,21-22,24,26H2,1-3H3,(H,47,52,53)
• InChIKey: YXRMQYYKQKBDBG-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 152.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.93
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154672415) is 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

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

The canonical SMILES for 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(CN2CCC3(CC2)CC(Oc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)CC1.

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

The InChIKey is YXRMQYYKQKBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50N6O8/c1-48-25-35(31-8-13-46-23-34(31)42(48)54)28-18-38(57-2)36(39(19-28)58-3)26-49-14-9-27(10-15-49)24-50-16-11-45(12-17-50)21-30(22-45)59-29-4-5-32-33(20-29)44(56)51(43(32)55)37-6-7-40(52)47-41(37)53/h4-5,8,13,18-20,23,25,27,30,37H,6-7,9-12,14-17,21-22,24,26H2,1-3H3,(H,47,52,53).

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

5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 802.93 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154672415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).