N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide

C20H22FN7O2S — CID 24602169

About N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide (PubChem CID 24602169) has the molecular formula C20H22FN7O2S and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide
• PubChem CID: 24602169
• Molecular Formula: C20H22FN7O2S
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.15
• IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide
• SMILES: Cn1ncc2c(SCC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ncnc21
• InChI: InChI=1S/C20H22FN7O2S/c1-26-19-16(10-24-26)20(23-13-22-19)31-12-18(30)28-8-6-27(7-9-28)11-17(29)25-15-4-2-14(21)3-5-15/h2-5,10,13H,6-9,11-12H2,1H3,(H,25,29)
• InChIKey: HPDWYMYQOCIRIS-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide (CID 24602169) is N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide is Cn1ncc2c(SCC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ncnc21.

What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide?

The InChIKey is HPDWYMYQOCIRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2S/c1-26-19-16(10-24-26)20(23-13-22-19)31-12-18(30)28-8-6-27(7-9-28)11-17(29)25-15-4-2-14(21)3-5-15/h2-5,10,13H,6-9,11-12H2,1H3,(H,25,29).

What are the key properties of N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide?

N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24602169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).