1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C25H20ClN5 — CID 11568078

IUPAC1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12
InChIInChI=1S/C25H20ClN5/c26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16/h1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28)
InChIKeyIGWCMCHNENNYMS-UHFFFAOYSA-N
MW425.92 g/mol
LogP6.11
Rot. Bonds3

About 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 11568078) has the molecular formula C25H20ClN5 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID11568078
Molecular FormulaC25H20ClN5
Molecular Weight425.92 g/mol
Exact Mass425.14
IUPAC Name1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12
InChIInChI=1S/C25H20ClN5/c26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16/h1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28)
InChIKeyIGWCMCHNENNYMS-UHFFFAOYSA-N
XLogP6.11
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 11568078) is 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12.
What is the InChIKey of 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is IGWCMCHNENNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5/c26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16/h1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28).
What are the key properties of 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 425.92 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11568078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).