1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone

C26H26N4O2 — CID 154658368

About 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone

1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone (PubChem CID 154658368) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
• PubChem CID: 154658368
• Molecular Formula: C26H26N4O2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.21
• IUPAC Name: 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
• SMILES: CC(=O)C1CCCC(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)C1
• InChI: InChI=1S/C26H26N4O2/c1-17(31)19-6-5-7-20(16-19)26-29-23(24-25(27)28-14-15-30(24)26)18-10-12-22(13-11-18)32-21-8-3-2-4-9-21/h2-4,8-15,19-20H,5-7,16H2,1H3,(H2,27,28)
• InChIKey: CYLQWJIPDPEECB-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone?

The IUPAC name of 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone (CID 154658368) is 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone.

What is the SMILES notation for 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone?

The canonical SMILES for 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone is CC(=O)C1CCCC(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)C1.

What is the InChIKey of 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone?

The InChIKey is CYLQWJIPDPEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17(31)19-6-5-7-20(16-19)26-29-23(24-25(27)28-14-15-30(24)26)18-10-12-22(13-11-18)32-21-8-3-2-4-9-21/h2-4,8-15,19-20H,5-7,16H2,1H3,(H2,27,28).

What are the key properties of 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone?

1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone has a molecular weight of 426.52 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone is sourced from PubChem (CID 154658368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).