1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C23H22N4 — CID 44539383

IUPAC1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(Cc4ccccc4)cc3)c12
InChIInChI=1S/C23H22N4/c24-22-21-20(26-23(19-7-4-8-19)27(21)14-13-25-22)18-11-9-17(10-12-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-14,19H,4,7-8,15H2,(H2,24,25)
InChIKeyKNIYAXLISPGCDY-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.84
Rot. Bonds4

About 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 44539383) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID44539383
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(Cc4ccccc4)cc3)c12
InChIInChI=1S/C23H22N4/c24-22-21-20(26-23(19-7-4-8-19)27(21)14-13-25-22)18-11-9-17(10-12-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-14,19H,4,7-8,15H2,(H2,24,25)
InChIKeyKNIYAXLISPGCDY-UHFFFAOYSA-N
XLogP4.84
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 44539383) is 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3ccc(Cc4ccccc4)cc3)c12.
What is the InChIKey of 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is KNIYAXLISPGCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c24-22-21-20(26-23(19-7-4-8-19)27(21)14-13-25-22)18-11-9-17(10-12-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-14,19H,4,7-8,15H2,(H2,24,25).
What are the key properties of 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 354.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 44539383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).