3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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

C49H55F3N6O7 — CID 169241832

About 3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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-2-methyl-1-oxo-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 169241832) has the molecular formula C49H55F3N6O7 and a molecular weight of 897.01 g/mol. Its IUPAC name is 3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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-2-methyl-1-oxo-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: 169241832
• Molecular Formula: C49H55F3N6O7
• Molecular Weight: 897.01 g/mol
• Exact Mass: 896.41
• IUPAC Name: 3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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(-c2cn(C)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/C49H55F3N6O7/c1-55-26-37(35-21-39(28-4-5-28)53-24-36(35)46(55)61)31-18-41(63-2)38(42(19-31)64-3)27-56-14-10-29(11-15-56)44(49(50,51)52)57-16-12-48(13-17-57)22-33(23-48)65-32-7-6-30-25-58(47(62)34(30)20-32)40-8-9-43(59)54-45(40)60/h6-7,18-21,24,26,28-29,33,40,44H,4-5,8-17,22-23,25,27H2,1-3H3,(H,54,59,60)
• InChIKey: JVUXJPDUXMKDMH-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 135.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	897.01
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
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 3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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-2-methyl-1-oxo-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 169241832) is 3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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-2-methyl-1-oxo-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-2-methyl-1-oxo-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(-c2cn(C)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-2-methyl-1-oxo-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 JVUXJPDUXMKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H55F3N6O7/c1-55-26-37(35-21-39(28-4-5-28)53-24-36(35)46(55)61)31-18-41(63-2)38(42(19-31)64-3)27-56-14-10-29(11-15-56)44(49(50,51)52)57-16-12-48(13-17-57)22-33(23-48)65-32-7-6-30-25-58(47(62)34(30)20-32)40-8-9-43(59)54-45(40)60/h6-7,18-21,24,26,28-29,33,40,44H,4-5,8-17,22-23,25,27H2,1-3H3,(H,54,59,60).

What are the key properties of 3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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-2-methyl-1-oxo-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 897.01 g/mol, XLogP of 6.72, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[7-[1-[1-[[4-(6-cyclopropyl-2-methyl-1-oxo-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 169241832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).