3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C44H54N8O6 — CID 176856448

About 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 176856448) has the molecular formula C44H54N8O6 and a molecular weight of 793.98 g/mol. Its IUPAC name is 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 176856448
• Molecular Formula: C44H54N8O6
• Molecular Weight: 793.98 g/mol
• Exact Mass: 793.44
• IUPAC Name: 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: [2H]C([2H])([2H])n1cc(-c2cc(OC)c(CN3CCN(CCC4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(OC)c2)c2cc(N(C)C)ncc2c1=O
• InChI: InChI=1S/C44H54N8O6/c1-47(2)40-23-33-34(24-45-40)43(55)48(3)26-35(33)29-21-38(57-4)36(39(22-29)58-5)27-50-18-16-49(17-19-50)13-10-28-11-14-51(15-12-28)31-6-7-32-30(20-31)25-52(44(32)56)37-8-9-41(53)46-42(37)54/h6-7,20-24,26,28,37H,8-19,25,27H2,1-5H3,(H,46,53,54)/i3D3
• InChIKey: DCUBZTNTWOKOHY-HPRDVNIFSA-N
• XLogP: 3.87
• TPSA: 132.79 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	793.98
LogP ≤ 5	3.87
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 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 176856448) is 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C([2H])([2H])n1cc(-c2cc(OC)c(CN3CCN(CCC4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(OC)c2)c2cc(N(C)C)ncc2c1=O.

What is the InChIKey of 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is DCUBZTNTWOKOHY-HPRDVNIFSA-N. The full InChI is InChI=1S/C44H54N8O6/c1-47(2)40-23-33-34(24-45-40)43(55)48(3)26-35(33)29-21-38(57-4)36(39(22-29)58-5)27-50-18-16-49(17-19-50)13-10-28-11-14-51(15-12-28)31-6-7-32-30(20-31)25-52(44(32)56)37-8-9-41(53)46-42(37)54/h6-7,20-24,26,28,37H,8-19,25,27H2,1-5H3,(H,46,53,54)/i3D3.

What are the key properties of 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 793.98 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[2-[4-[[4-[6-(dimethylamino)-1-oxo-2-(trideuteriomethyl)-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176856448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).