8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C24H22N2OS — CID 168828181

About 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 168828181) has the molecular formula C24H22N2OS and a molecular weight of 388.53 g/mol. Its IUPAC name is 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 168828181
• Molecular Formula: C24H22N2OS
• Molecular Weight: 388.53 g/mol
• Exact Mass: 388.16
• IUPAC Name: 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: [2H]C([2H])(c1cc2ccnc(-c3cccc4c3oc3nc(C)ccc34)c2s1)C(C)(C)C
• InChI: InChI=1S/C24H22N2OS/c1-14-8-9-18-17-6-5-7-19(21(17)27-23(18)26-14)20-22-15(10-11-25-20)12-16(28-22)13-24(2,3)4/h5-12H,13H2,1-4H3/i13D2
• InChIKey: WDDPXZGRJZDGFR-KLTYLHELSA-N
• XLogP: 7.15
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.53
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 168828181) is 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])(c1cc2ccnc(-c3cccc4c3oc3nc(C)ccc34)c2s1)C(C)(C)C.

What is the InChIKey of 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is WDDPXZGRJZDGFR-KLTYLHELSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-14-8-9-18-17-6-5-7-19(21(17)27-23(18)26-14)20-22-15(10-11-25-20)12-16(28-22)13-24(2,3)4/h5-12H,13H2,1-4H3/i13D2.

What are the key properties of 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 388.53 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168828181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).