2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H21FN4O4S — CID 110216042

About 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216042) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 110216042
• Molecular Formula: C20H21FN4O4S
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.13
• IUPAC Name: 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: Cc1cc(=O)n2[nH]c(C3CCCCN3C(=O)CS(=O)(=O)c3ccc(F)cc3)cc2n1
• InChI: InChI=1S/C20H21FN4O4S/c1-13-10-19(26)25-18(22-13)11-16(23-25)17-4-2-3-9-24(17)20(27)12-30(28,29)15-7-5-14(21)6-8-15/h5-8,10-11,17,23H,2-4,9,12H2,1H3
• InChIKey: PKKREPFKWYMENZ-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 104.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216042) is 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCCCN3C(=O)CS(=O)(=O)c3ccc(F)cc3)cc2n1.

What is the InChIKey of 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is PKKREPFKWYMENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-13-10-19(26)25-18(22-13)11-16(23-25)17-4-2-3-9-24(17)20(27)12-30(28,29)15-7-5-14(21)6-8-15/h5-8,10-11,17,23H,2-4,9,12H2,1H3.

What are the key properties of 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 432.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).