3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol

C21H26N6O4S — CID 57403555

IUPAC3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1
InChIInChI=1S/C21H26N6O4S/c1-32(29,30)26-7-5-24(6-8-26)19-14-22-20-21(25-9-11-31-12-10-25)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3
InChIKeyFVEBZTKBIAZNJL-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.02
Rot. Bonds4

About 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol

3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 57403555) has the molecular formula C21H26N6O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID57403555
Molecular FormulaC21H26N6O4S
Molecular Weight458.54 g/mol
Exact Mass458.17
IUPAC Name3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1
InChIInChI=1S/C21H26N6O4S/c1-32(29,30)26-7-5-24(6-8-26)19-14-22-20-21(25-9-11-31-12-10-25)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3
InChIKeyFVEBZTKBIAZNJL-UHFFFAOYSA-N
XLogP1.02
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (CID 57403555) is 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is CS(=O)(=O)N1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1.
What is the InChIKey of 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is FVEBZTKBIAZNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S/c1-32(29,30)26-7-5-24(6-8-26)19-14-22-20-21(25-9-11-31-12-10-25)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3.
What are the key properties of 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 458.54 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylsulfonylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 57403555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).