3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol

C16H16N4O2 — CID 53353950

IUPAC3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
SMILESOc1cccc(-c2cn3cncc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C16H16N4O2/c21-13-3-1-2-12(8-13)14-10-20-11-17-9-15(20)16(18-14)19-4-6-22-7-5-19/h1-3,8-11,21H,4-7H2
InChIKeyINHQBXOWLUBCJL-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.94
Rot. Bonds2

About 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol

3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol (PubChem CID 53353950) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol.

Molecular Properties

Compound Name3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
PubChem CID53353950
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
SMILESOc1cccc(-c2cn3cncc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C16H16N4O2/c21-13-3-1-2-12(8-13)14-10-20-11-17-9-15(20)16(18-14)19-4-6-22-7-5-19/h1-3,8-11,21H,4-7H2
InChIKeyINHQBXOWLUBCJL-UHFFFAOYSA-N
XLogP1.94
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol?
The IUPAC name of 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol (CID 53353950) is 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol.
What is the SMILES notation for 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol?
The canonical SMILES for 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol is Oc1cccc(-c2cn3cncc3c(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol?
The InChIKey is INHQBXOWLUBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-13-3-1-2-12(8-13)14-10-20-11-17-9-15(20)16(18-14)19-4-6-22-7-5-19/h1-3,8-11,21H,4-7H2.
What are the key properties of 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol?
3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol has a molecular weight of 296.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol is sourced from PubChem (CID 53353950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).