2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol

C26H31N9O3 — CID 118161065

About 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol

2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol (PubChem CID 118161065) has the molecular formula C26H31N9O3 and a molecular weight of 517.59 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-(oxetan-3-yl)piperazin-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-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol
• PubChem CID: 118161065
• Molecular Formula: C26H31N9O3
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.25
• IUPAC Name: 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol
• SMILES: Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)nc1N
• InChI: InChI=1S/C26H31N9O3/c1-17-24(27)31-20(13-29-17)21-14-35-5-4-28-26(35)25(32-21)30-18-2-3-22(23(12-18)38-11-10-36)34-8-6-33(7-9-34)19-15-37-16-19/h2-5,12-14,19,36H,6-11,15-16H2,1H3,(H2,27,31)(H,30,32)
• InChIKey: LFSWUEFCKBOGCG-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 139.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-(oxetan-3-yl)piperazin-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-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol (CID 118161065) is 2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-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-(oxetan-3-yl)piperazin-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-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol is Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)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-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol?

The InChIKey is LFSWUEFCKBOGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O3/c1-17-24(27)31-20(13-29-17)21-14-35-5-4-28-26(35)25(32-21)30-18-2-3-22(23(12-18)38-11-10-36)34-8-6-33(7-9-34)19-15-37-16-19/h2-5,12-14,19,36H,6-11,15-16H2,1H3,(H2,27,31)(H,30,32).

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-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol?

2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol has a molecular weight of 517.59 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 12 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-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol is sourced from PubChem (CID 118161065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).