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-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane

C79H99N27O5 — CID 157267028

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-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane

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-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane (PubChem CID 157267028) has the molecular formula C79H99N27O5 and a molecular weight of 1506.84 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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane.

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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane
• PubChem CID: 157267028
• Molecular Formula: C79H99N27O5
• Molecular Weight: 1506.84 g/mol
• Exact Mass: 1505.83
• 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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane
• SMILES: C.CCC(CO)CN1CCN(c2ccc(Nc3nc(-c4cncc(N)n4)cn4ccnc34)cc2)CC1.Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5CCC5)CC4)c(OCCO)c3)n2)nc1N.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5CCC5)CC4)c(OCCO)c3)n2)n1
• InChI: InChI=1S/C27H33N9O2.C26H31N9O2.C25H31N9O.CH4/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;27-24-16-28-15-20(31-24)21-17-35-7-6-29-26(35)25(32-21)30-18-4-5-22(23(14-18)37-13-12-36)34-10-8-33(9-11-34)19-2-1-3-19;1-2-18(17-35)15-32-9-11-33(12-10-32)20-5-3-19(4-6-20)29-24-25-28-7-8-34(25)16-22(31-24)21-13-27-14-23(26)30-21;/h5-8,15-17,20,37H,2-4,9-14H2,1H3,(H2,28,32)(H,31,33);4-7,14-17,19,36H,1-3,8-13H2,(H2,27,31)(H,30,32);3-8,13-14,16,18,35H,2,9-12,15,17H2,1H3,(H2,26,30)(H,29,31);1H4
• InChIKey: AYCNQLHOKNBPLK-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 380.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1506.84
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane?

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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane (CID 157267028) 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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane.

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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane?

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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane is C.CCC(CO)CN1CCN(c2ccc(Nc3nc(-c4cncc(N)n4)cn4ccnc34)cc2)CC1.Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5CCC5)CC4)c(OCCO)c3)n2)nc1N.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5CCC5)CC4)c(OCCO)c3)n2)n1.

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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane?

The InChIKey is AYCNQLHOKNBPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O2.C26H31N9O2.C25H31N9O.CH4/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;27-24-16-28-15-20(31-24)21-17-35-7-6-29-26(35)25(32-21)30-18-4-5-22(23(14-18)37-13-12-36)34-10-8-33(9-11-34)19-2-1-3-19;1-2-18(17-35)15-32-9-11-33(12-10-32)20-5-3-19(4-6-20)29-24-25-28-7-8-34(25)16-22(31-24)21-13-27-14-23(26)30-21;/h5-8,15-17,20,37H,2-4,9-14H2,1H3,(H2,28,32)(H,31,33);4-7,14-17,19,36H,1-3,8-13H2,(H2,27,31)(H,30,32);3-8,13-14,16,18,35H,2,9-12,15,17H2,1H3,(H2,26,30)(H,29,31);1H4.

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-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane?

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-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane has a molecular weight of 1506.84 g/mol, XLogP of 8.71, 24 rotatable bonds, 9 hydrogen bond donors, and 32 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;2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol;2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]butan-1-ol;methane is sourced from PubChem (CID 157267028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).