5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile

C24H20FN5O3S — CID 164820419

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile (PubChem CID 164820419) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile
• PubChem CID: 164820419
• Molecular Formula: C24H20FN5O3S
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.13
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile
• SMILES: Cc1ncccc1-c1cc(C#N)c(NCc2c(F)ccc3c2CCO3)n2cnc(S(C)(=O)=O)c12
• InChI: InChI=1S/C24H20FN5O3S/c1-14-16(4-3-8-27-14)18-10-15(11-26)23(30-13-29-24(22(18)30)34(2,31)32)28-12-19-17-7-9-33-21(17)6-5-20(19)25/h3-6,8,10,13,28H,7,9,12H2,1-2H3
• InChIKey: OGYGWRLSNZWZNC-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 109.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile (CID 164820419) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile.

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

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile is Cc1ncccc1-c1cc(C#N)c(NCc2c(F)ccc3c2CCO3)n2cnc(S(C)(=O)=O)c12.

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

The InChIKey is OGYGWRLSNZWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c1-14-16(4-3-8-27-14)18-10-15(11-26)23(30-13-29-24(22(18)30)34(2,31)32)28-12-19-17-7-9-33-21(17)6-5-20(19)25/h3-6,8,10,13,28H,7,9,12H2,1-2H3.

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 477.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 164820419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).