3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C48H53F3N6O7 — CID 167395293

About 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167395293) has the molecular formula C48H53F3N6O7 and a molecular weight of 882.98 g/mol. Its IUPAC name is 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167395293
• Molecular Formula: C48H53F3N6O7
• Molecular Weight: 882.98 g/mol
• Exact Mass: 882.39
• IUPAC Name: 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-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)C3)C(F)(F)F)CC1
• InChI: InChI=1S/C48H53F3N6O7/c1-62-40-17-30(35-23-53-44(59)36-24-52-38(20-34(35)36)27-3-4-27)18-41(63-2)37(40)26-55-13-9-28(10-14-55)43(48(49,50)51)56-15-11-47(12-16-56)21-32(22-47)64-31-6-5-29-25-57(46(61)33(29)19-31)39-7-8-42(58)54-45(39)60/h5-6,17-20,23-24,27-28,32,39,43H,3-4,7-16,21-22,25-26H2,1-2H3,(H,53,59)(H,54,58,60)
• InChIKey: IKNAYIBXUKZTHB-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 146.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.98
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
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 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167395293) is 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-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)C3)C(F)(F)F)CC1.

What is the InChIKey of 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is IKNAYIBXUKZTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53F3N6O7/c1-62-40-17-30(35-23-53-44(59)36-24-52-38(20-34(35)36)27-3-4-27)18-41(63-2)37(40)26-55-13-9-28(10-14-55)43(48(49,50)51)56-15-11-47(12-16-56)21-32(22-47)64-31-6-5-29-25-57(46(61)33(29)19-31)39-7-8-42(58)54-45(39)60/h5-6,17-20,23-24,27-28,32,39,43H,3-4,7-16,21-22,25-26H2,1-2H3,(H,53,59)(H,54,58,60).

What are the key properties of 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 882.98 g/mol, XLogP of 6.71, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167395293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).