1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine

C25H24N5+ — CID 87102610

About 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine

1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 87102610) has the molecular formula C25H24N5+ and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
• PubChem CID: 87102610
• Molecular Formula: C25H24N5+
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.20
• IUPAC Name: 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
• SMILES: CC(C)(C)C1=C2C=NC=C[N+]2(N)C(c2ccc3ccc(-c4ccccc4)nc3c2)=N1
• InChI: InChI=1S/C25H24N5/c1-25(2,3)23-22-16-27-13-14-30(22,26)24(29-23)19-10-9-18-11-12-20(28-21(18)15-19)17-7-5-4-6-8-17/h4-16H,26H2,1-3H3/q+1
• InChIKey: LVGKTQLIGCOVCX-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 63.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine?

The IUPAC name of 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 87102610) is 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine.

What is the SMILES notation for 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine?

The canonical SMILES for 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine is CC(C)(C)C1=C2C=NC=C[N+]2(N)C(c2ccc3ccc(-c4ccccc4)nc3c2)=N1.

What is the InChIKey of 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine?

The InChIKey is LVGKTQLIGCOVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N5/c1-25(2,3)23-22-16-27-13-14-30(22,26)24(29-23)19-10-9-18-11-12-20(28-21(18)15-19)17-7-5-4-6-8-17/h4-16H,26H2,1-3H3/q+1.

What are the key properties of 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine?

1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 394.50 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 87102610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).