5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C22H20FN5O — CID 152812250

About 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine

5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 152812250) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

• Compound Name: 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
• PubChem CID: 152812250
• Molecular Formula: C22H20FN5O
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.17
• IUPAC Name: 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
• SMILES: Cc1ncccc1-c1c(C)nc(CCc2c(F)ccc3c2CCO3)n2cnnc12
• InChI: InChI=1S/C22H20FN5O/c1-13-15(4-3-10-24-13)21-14(2)26-20(28-12-25-27-22(21)28)8-5-16-17-9-11-29-19(17)7-6-18(16)23/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3
• InChIKey: SRJVPSGBKSUKQP-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 65.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?

The IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 152812250) is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

What is the SMILES notation for 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?

The canonical SMILES for 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1ncccc1-c1c(C)nc(CCc2c(F)ccc3c2CCO3)n2cnnc12.

What is the InChIKey of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?

The InChIKey is SRJVPSGBKSUKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-15(4-3-10-24-13)21-14(2)26-20(28-12-25-27-22(21)28)8-5-16-17-9-11-29-19(17)7-6-18(16)23/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3.

What are the key properties of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?

5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 389.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-7-methyl-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 152812250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).