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

C48H51F3N6O8 — CID 167395210

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

5-[[7-[1-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167395210) has the molecular formula C48H51F3N6O8 and a molecular weight of 896.96 g/mol. Its IUPAC name is 5-[[7-[1-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-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-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167395210
• Molecular Formula: C48H51F3N6O8
• Molecular Weight: 896.96 g/mol
• Exact Mass: 896.37
• IUPAC Name: 5-[[7-[1-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2c[nH]c(=O)c3cnc(C4CC4)cc23)cc(OC)c1CN1CCC(C(N2CCC3(CC2)CC(Oc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)C(F)(F)F)CC1
• InChI: InChI=1S/C48H51F3N6O8/c1-63-39-17-28(34-23-53-43(59)35-24-52-37(20-32(34)35)26-3-4-26)18-40(64-2)36(39)25-55-13-9-27(10-14-55)42(48(49,50)51)56-15-11-47(12-16-56)21-30(22-47)65-29-5-6-31-33(19-29)46(62)57(45(31)61)38-7-8-41(58)54-44(38)60/h5-6,17-20,23-24,26-27,30,38,42H,3-4,7-16,21-22,25H2,1-2H3,(H,53,59)(H,54,58,60)
• InChIKey: HKKMHORYPWOHEY-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 163.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	896.96
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
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-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-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-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167395210) is 5-[[7-[1-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-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-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-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-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2c[nH]c(=O)c3cnc(C4CC4)cc23)cc(OC)c1CN1CCC(C(N2CCC3(CC2)CC(Oc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)C(F)(F)F)CC1.

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

The InChIKey is HKKMHORYPWOHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51F3N6O8/c1-63-39-17-28(34-23-53-43(59)35-24-52-37(20-32(34)35)26-3-4-26)18-40(64-2)36(39)25-55-13-9-27(10-14-55)42(48(49,50)51)56-15-11-47(12-16-56)21-30(22-47)65-29-5-6-31-33(19-29)46(62)57(45(31)61)38-7-8-41(58)54-44(38)60/h5-6,17-20,23-24,26-27,30,38,42H,3-4,7-16,21-22,25H2,1-2H3,(H,53,59)(H,54,58,60).

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

5-[[7-[1-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 896.96 g/mol, XLogP of 6.35, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[7-[1-[1-[[4-(6-cyclopropyl-1-oxo-2H-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2,2,2-trifluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167395210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).