8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine

C23H20FN5O — CID 147662626

About 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine

8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 147662626) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

• Compound Name: 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine
• PubChem CID: 147662626
• Molecular Formula: C23H20FN5O
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.17
• IUPAC Name: 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine
• SMILES: Fc1ccc2c(c1CCc1ncc(-c3ccc(C4CC4)nc3)c3nncn13)CCO2
• InChI: InChI=1S/C23H20FN5O/c24-19-5-7-21-17(9-10-30-21)16(19)4-8-22-26-12-18(23-28-27-13-29(22)23)15-3-6-20(25-11-15)14-1-2-14/h3,5-7,11-14H,1-2,4,8-10H2
• InChIKey: GLQWDCWAYLSXRO-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 65.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?

The IUPAC name of 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine (CID 147662626) is 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine.

What is the SMILES notation for 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?

The canonical SMILES for 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine is Fc1ccc2c(c1CCc1ncc(-c3ccc(C4CC4)nc3)c3nncn13)CCO2.

What is the InChIKey of 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?

The InChIKey is GLQWDCWAYLSXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-5-7-21-17(9-10-30-21)16(19)4-8-22-26-12-18(23-28-27-13-29(22)23)15-3-6-20(25-11-15)14-1-2-14/h3,5-7,11-14H,1-2,4,8-10H2.

What are the key properties of 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?

8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 401.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-cyclopropyl-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 147662626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).