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

C17H18N4O3 — CID 46945638

IUPAC3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOCc1cn2cc(-c3cccc(O)c3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C17H18N4O3/c22-11-13-9-21-10-15(12-2-1-3-14(23)8-12)19-17(16(21)18-13)20-4-6-24-7-5-20/h1-3,8-10,22-23H,4-7,11H2
InChIKeyYIALEPQODWJRNQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.43
Rot. Bonds3

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

3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 46945638) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID46945638
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOCc1cn2cc(-c3cccc(O)c3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C17H18N4O3/c22-11-13-9-21-10-15(12-2-1-3-14(23)8-12)19-17(16(21)18-13)20-4-6-24-7-5-20/h1-3,8-10,22-23H,4-7,11H2
InChIKeyYIALEPQODWJRNQ-UHFFFAOYSA-N
XLogP1.43
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (CID 46945638) is 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is OCc1cn2cc(-c3cccc(O)c3)nc(N3CCOCC3)c2n1.
What is the InChIKey of 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is YIALEPQODWJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-11-13-9-21-10-15(12-2-1-3-14(23)8-12)19-17(16(21)18-13)20-4-6-24-7-5-20/h1-3,8-10,22-23H,4-7,11H2.
What are the key properties of 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 326.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 46945638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).