1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone

C20H23N5O — CID 123313140

IUPAC1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(C3CCCNC3)n3c(C)cnc(N)c23)cc1
InChIInChI=1S/C20H23N5O/c1-12-10-23-19(21)18-17(15-7-5-14(6-8-15)13(2)26)24-20(25(12)18)16-4-3-9-22-11-16/h5-8,10,16,22H,3-4,9,11H2,1-2H3,(H2,21,23)
InChIKeyJZNCDMYGNQHIBD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.96
Rot. Bonds3

About 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone

1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone (PubChem CID 123313140) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone
PubChem CID123313140
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(C3CCCNC3)n3c(C)cnc(N)c23)cc1
InChIInChI=1S/C20H23N5O/c1-12-10-23-19(21)18-17(15-7-5-14(6-8-15)13(2)26)24-20(25(12)18)16-4-3-9-22-11-16/h5-8,10,16,22H,3-4,9,11H2,1-2H3,(H2,21,23)
InChIKeyJZNCDMYGNQHIBD-UHFFFAOYSA-N
XLogP2.96
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone (CID 123313140) is 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone is CC(=O)c1ccc(-c2nc(C3CCCNC3)n3c(C)cnc(N)c23)cc1.
What is the InChIKey of 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone?
The InChIKey is JZNCDMYGNQHIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-10-23-19(21)18-17(15-7-5-14(6-8-15)13(2)26)24-20(25(12)18)16-4-3-9-22-11-16/h5-8,10,16,22H,3-4,9,11H2,1-2H3,(H2,21,23).
What are the key properties of 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone?
1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 123313140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).