1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C18H16N4O — CID 54580415

IUPAC1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C18H16N4O/c19-17-16-15(14-10-12-4-1-2-7-13(12)23-14)21-18(11-5-3-6-11)22(16)9-8-20-17/h1-2,4,7-11H,3,5-6H2,(H2,19,20)
InChIKeyCWFLUNCCZKXPQH-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.99
Rot. Bonds2

About 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 54580415) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID54580415
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C18H16N4O/c19-17-16-15(14-10-12-4-1-2-7-13(12)23-14)21-18(11-5-3-6-11)22(16)9-8-20-17/h1-2,4,7-11H,3,5-6H2,(H2,19,20)
InChIKeyCWFLUNCCZKXPQH-UHFFFAOYSA-N
XLogP3.99
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 54580415) is 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is CWFLUNCCZKXPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-17-16-15(14-10-12-4-1-2-7-13(12)23-14)21-18(11-5-3-6-11)22(16)9-8-20-17/h1-2,4,7-11H,3,5-6H2,(H2,19,20).
What are the key properties of 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 304.35 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 54580415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).