3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine

C24H20N6 — CID 11560235

IUPAC3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc4ncc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C24H20N6/c25-23-22-21(29-24(16-7-4-8-16)30(22)12-11-26-23)17-9-10-18-19(13-17)28-20(14-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,16H,4,7-8H2,(H2,25,26)
InChIKeyNUKKCOWHLBALKL-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.86
Rot. Bonds3

About 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11560235) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11560235
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc4ncc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C24H20N6/c25-23-22-21(29-24(16-7-4-8-16)30(22)12-11-26-23)17-9-10-18-19(13-17)28-20(14-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,16H,4,7-8H2,(H2,25,26)
InChIKeyNUKKCOWHLBALKL-UHFFFAOYSA-N
XLogP4.86
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine (CID 11560235) is 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3ccc4ncc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is NUKKCOWHLBALKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c25-23-22-21(29-24(16-7-4-8-16)30(22)12-11-26-23)17-9-10-18-19(13-17)28-20(14-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,16H,4,7-8H2,(H2,25,26).
What are the key properties of 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 392.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11560235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).