3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C35H36N6O6 — CID 169241751

About 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169241751) has the molecular formula C35H36N6O6 and a molecular weight of 636.71 g/mol. Its IUPAC name is 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 169241751
• Molecular Formula: C35H36N6O6
• Molecular Weight: 636.71 g/mol
• Exact Mass: 636.27
• IUPAC Name: 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(N4CCC4)cc23)cc(OC)c1CN(C)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C35H36N6O6/c1-38(22-6-7-23-21(12-22)17-41(35(23)45)28-8-9-32(42)37-33(28)43)19-27-29(46-3)13-20(14-30(27)47-4)26-18-39(2)34(44)25-16-36-31(15-24(25)26)40-10-5-11-40/h6-7,12-16,18,28H,5,8-11,17,19H2,1-4H3,(H,37,42,43)
• InChIKey: NHOXEDUJZFKOJZ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 126.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.71
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
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-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169241751) is 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnc(N4CCC4)cc23)cc(OC)c1CN(C)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is NHOXEDUJZFKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O6/c1-38(22-6-7-23-21(12-22)17-41(35(23)45)28-8-9-32(42)37-33(28)43)19-27-29(46-3)13-20(14-30(27)47-4)26-18-39(2)34(44)25-16-36-31(15-24(25)26)40-10-5-11-40/h6-7,12-16,18,28H,5,8-11,17,19H2,1-4H3,(H,37,42,43).

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

3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 636.71 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl-methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169241751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).