[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

C20H24N8O — CID 122338082

About [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 122338082) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
• PubChem CID: 122338082
• Molecular Formula: C20H24N8O
• Molecular Weight: 392.47 g/mol
• Exact Mass: 392.21
• IUPAC Name: [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
• SMILES: Cc1cnc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cn1
• InChI: InChI=1S/C20H24N8O/c1-13-9-15(3)28(25-13)19-10-18(23-16(4)24-19)26-5-7-27(8-6-26)20(29)17-12-21-14(2)11-22-17/h9-12H,5-8H2,1-4H3
• InChIKey: PRUJVETYLWTSRT-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 92.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.47
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 122338082) is [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.

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

The canonical SMILES for [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cn1.

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

The InChIKey is PRUJVETYLWTSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-13-9-15(3)28(25-13)19-10-18(23-16(4)24-19)26-5-7-27(8-6-26)20(29)17-12-21-14(2)11-22-17/h9-12H,5-8H2,1-4H3.

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

[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 392.47 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 122338082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).