2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol

C₂₇H₃₃N₉O₂ — CID 129255211

About 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol

2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol (PubChem CID 129255211) has the molecular formula C₂₇H₃₃N₉O₂ and a molecular weight of 515.62 g/mol. Its IUPAC name is 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol
• PubChem CID: 129255211
• Molecular Formula: C₂₇H₃₃N₉O₂
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.28
• IUPAC Name: 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol
• SMILES: Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5CCC5)CC4)c(OCCO)c3)n2)nc1N
• InChI: InChI=1S/C27H33N9O2/c1-18-25(28)32-21(16-30-18)22-17-36-8-7-29-27(36)26(33-22)31-19-5-6-23(24(15-19)38-14-13-37)35-11-9-34(10-12-35)20-3-2-4-20/h5-8,15-17,20,37H,2-4,9-14H2,1H3,(H2,28,32)(H,31,33)
• InChIKey: LWJGQRGGZFBXFW-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 129.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol?

The IUPAC name of 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol (CID 129255211) is 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol.

What is the SMILES notation for 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol?

The canonical SMILES for 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol is Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5CCC5)CC4)c(OCCO)c3)n2)nc1N.

What is the InChIKey of 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol?

The InChIKey is LWJGQRGGZFBXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O2/c1-18-25(28)32-21(16-30-18)22-17-36-8-7-29-27(36)26(33-22)31-19-5-6-23(24(15-19)38-14-13-37)35-11-9-34(10-12-35)20-3-2-4-20/h5-8,15-17,20,37H,2-4,9-14H2,1H3,(H2,28,32)(H,31,33).

What are the key properties of 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol?

2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol has a molecular weight of 515.62 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol is sourced from PubChem (CID 129255211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129255211 — identifiers, structure, computed properties (public domain)

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