N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide

C22H27N7O3S — CID 121072447

About N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 121072447) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
• PubChem CID: 121072447
• Molecular Formula: C22H27N7O3S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.19
• IUPAC Name: N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1
• InChI: InChI=1S/C22H27N7O3S/c1-15-13-16(2)29(26-15)22-14-21(23-17(3)24-22)27-9-11-28(12-10-27)33(31,32)20-7-5-19(6-8-20)25-18(4)30/h5-8,13-14H,9-12H2,1-4H3,(H,25,30)
• InChIKey: WYAFTQQNBFQDGV-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 113.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide?

The IUPAC name of N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 121072447) is N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide.

What is the SMILES notation for N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide?

The canonical SMILES for N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1.

What is the InChIKey of N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide?

The InChIKey is WYAFTQQNBFQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3S/c1-15-13-16(2)29(26-15)22-14-21(23-17(3)24-22)27-9-11-28(12-10-27)33(31,32)20-7-5-19(6-8-20)25-18(4)30/h5-8,13-14H,9-12H2,1-4H3,(H,25,30).

What are the key properties of N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide?

N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 469.57 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 121072447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).