1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C20H21N9O — CID 139359521

About 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 139359521) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 139359521
• Molecular Formula: C20H21N9O
• Molecular Weight: 403.45 g/mol
• Exact Mass: 403.19
• IUPAC Name: 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5cn[nH]c5C)cn34)n2)CC1
• InChI: InChI=1S/C20H21N9O/c1-13-15(9-24-26-13)16-12-29-17(10-23-19(29)11-22-16)20-21-4-3-18(25-20)28-7-5-27(6-8-28)14(2)30/h3-4,9-12H,5-8H2,1-2H3,(H,24,26)
• InChIKey: FEYXSCOKZLDDMZ-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 108.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.45
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 139359521) is 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5cn[nH]c5C)cn34)n2)CC1.

What is the InChIKey of 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The InChIKey is FEYXSCOKZLDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-13-15(9-24-26-13)16-12-29-17(10-23-19(29)11-22-16)20-21-4-3-18(25-20)28-7-5-27(6-8-28)14(2)30/h3-4,9-12H,5-8H2,1-2H3,(H,24,26).

What are the key properties of 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 403.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139359521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).