8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

C24H22N2OS — CID 168828573

About 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168828573) has the molecular formula C24H22N2OS and a molecular weight of 391.55 g/mol. Its IUPAC name is 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 168828573
• Molecular Formula: C24H22N2OS
• Molecular Weight: 391.55 g/mol
• Exact Mass: 391.18
• IUPAC Name: 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
• SMILES: [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccc4scc(C([2H])([2H])C(C)(C)C)c4n3)cccc12
• InChI: InChI=1S/C24H22N2OS/c1-14-8-9-17-16-6-5-7-18(22(16)27-23(17)25-14)19-10-11-20-21(26-19)15(13-28-20)12-24(2,3)4/h5-11,13H,12H2,1-4H3/i1D3,12D2
• InChIKey: SDCKIMKQDXLIJV-JQKGTWBISA-N
• XLogP: 7.15
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.55
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (CID 168828573) is 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccc4scc(C([2H])([2H])C(C)(C)C)c4n3)cccc12.

What is the InChIKey of 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is SDCKIMKQDXLIJV-JQKGTWBISA-N. The full InChI is InChI=1S/C24H22N2OS/c1-14-8-9-17-16-6-5-7-18(22(16)27-23(17)25-14)19-10-11-20-21(26-19)15(13-28-20)12-24(2,3)4/h5-11,13H,12H2,1-4H3/i1D3,12D2.

What are the key properties of 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?

8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 391.55 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168828573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).