8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile

C26H23FN4O — CID 164984547

About 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile

8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile (PubChem CID 164984547) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile
• PubChem CID: 164984547
• Molecular Formula: C26H23FN4O
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.19
• IUPAC Name: 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile
• SMILES: Cc1ccc(-c2cc(C#N)c(CCc3c(F)ccc4c3CCO4)n3cnc(C)c23)c(C)n1
• InChI: InChI=1S/C26H23FN4O/c1-15-4-5-19(16(2)30-15)22-12-18(13-28)24(31-14-29-17(3)26(22)31)8-6-20-21-10-11-32-25(21)9-7-23(20)27/h4-5,7,9,12,14H,6,8,10-11H2,1-3H3
• InChIKey: ZAKBUXSSHNSIAK-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 63.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile?

The IUPAC name of 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile (CID 164984547) is 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile.

What is the SMILES notation for 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile?

The canonical SMILES for 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile is Cc1ccc(-c2cc(C#N)c(CCc3c(F)ccc4c3CCO4)n3cnc(C)c23)c(C)n1.

What is the InChIKey of 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile?

The InChIKey is ZAKBUXSSHNSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O/c1-15-4-5-19(16(2)30-15)22-12-18(13-28)24(31-14-29-17(3)26(22)31)8-6-20-21-10-11-32-25(21)9-7-23(20)27/h4-5,7,9,12,14H,6,8,10-11H2,1-3H3.

What are the key properties of 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile?

8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 426.50 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dimethyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylimidazo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 164984547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).