8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine

C22H22FN3O4S — CID 165104640

About 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine

8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine (PubChem CID 165104640) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine.

Molecular Properties

• Compound Name: 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine
• PubChem CID: 165104640
• Molecular Formula: C22H22FN3O4S
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.13
• IUPAC Name: 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine
• SMILES: CS(=O)(=O)c1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(C3=CCOCC3)c12
• InChI: InChI=1S/C22H22FN3O4S/c1-31(27,28)22-21-17(14-6-9-29-10-7-14)12-24-20(26(21)13-25-22)5-2-15-16-8-11-30-19(16)4-3-18(15)23/h3-4,6,12-13H,2,5,7-11H2,1H3
• InChIKey: KFDCWCVBNZOYDL-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 82.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine (CID 165104640) is 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine.

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

The canonical SMILES for 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine is CS(=O)(=O)c1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(C3=CCOCC3)c12.

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

The InChIKey is KFDCWCVBNZOYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-31(27,28)22-21-17(14-6-9-29-10-7-14)12-24-20(26(21)13-25-22)5-2-15-16-8-11-30-19(16)4-3-18(15)23/h3-4,6,12-13H,2,5,7-11H2,1H3.

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

8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine has a molecular weight of 443.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-1-methylsulfonylimidazo[1,5-c]pyrimidine is sourced from PubChem (CID 165104640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).