6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine

C25H20N2O — CID 163648243

About 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine

6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 163648243) has the molecular formula C25H20N2O and a molecular weight of 369.48 g/mol. Its IUPAC name is 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 163648243
• Molecular Formula: C25H20N2O
• Molecular Weight: 369.48 g/mol
• Exact Mass: 369.19
• IUPAC Name: 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
• SMILES: [2H]C([2H])([2H])c1cc2c(oc3ccc(-c4cc(C([2H])([2H])c5ccccc5)ccn4)cc32)c(C)n1
• InChI: InChI=1S/C25H20N2O/c1-16-12-22-21-15-20(8-9-24(21)28-25(22)17(2)27-16)23-14-19(10-11-26-23)13-18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3/i1D3,13D2
• InChIKey: DWBVNCJXIBTWES-HGSMBRELSA-N
• XLogP: 6.25
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.48
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine (CID 163648243) is 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine is [2H]C([2H])([2H])c1cc2c(oc3ccc(-c4cc(C([2H])([2H])c5ccccc5)ccn4)cc32)c(C)n1.

What is the InChIKey of 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?

The InChIKey is DWBVNCJXIBTWES-HGSMBRELSA-N. The full InChI is InChI=1S/C25H20N2O/c1-16-12-22-21-15-20(8-9-24(21)28-25(22)17(2)27-16)23-14-19(10-11-26-23)13-18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3/i1D3,13D2.

What are the key properties of 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?

6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 369.48 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 163648243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).