3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C25H21N5 — CID 11632540

IUPAC3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C25H21N5/c26-24-23-22(29-25(18-7-4-8-18)30(23)14-13-27-24)19-10-9-17-11-12-20(28-21(17)15-19)16-5-2-1-3-6-16/h1-3,5-6,9-15,18H,4,7-8H2,(H2,26,27)
InChIKeyLFQVOSHWRZTZHW-UHFFFAOYSA-N
MW391.48 g/mol
LogP5.46
Rot. Bonds3

About 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11632540) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11632540
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC Name3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C25H21N5/c26-24-23-22(29-25(18-7-4-8-18)30(23)14-13-27-24)19-10-9-17-11-12-20(28-21(17)15-19)16-5-2-1-3-6-16/h1-3,5-6,9-15,18H,4,7-8H2,(H2,26,27)
InChIKeyLFQVOSHWRZTZHW-UHFFFAOYSA-N
XLogP5.46
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 11632540) is 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LFQVOSHWRZTZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c26-24-23-22(29-25(18-7-4-8-18)30(23)14-13-27-24)19-10-9-17-11-12-20(28-21(17)15-19)16-5-2-1-3-6-16/h1-3,5-6,9-15,18H,4,7-8H2,(H2,26,27).
What are the key properties of 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 391.48 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11632540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).