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

C29H28N6 — CID 143495280

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

3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143495280) has the molecular formula C29H28N6 and a molecular weight of 460.59 g/mol. Its IUPAC name is 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 143495280
• Molecular Formula: C29H28N6
• Molecular Weight: 460.59 g/mol
• Exact Mass: 460.24
• IUPAC Name: 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: C=CN(CC)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
• InChI: InChI=1S/C29H28N6/c1-3-34(4-2)23-16-22(17-23)29-33-26(27-28(30)31-14-15-35(27)29)21-11-10-20-12-13-24(32-25(20)18-21)19-8-6-5-7-9-19/h3,5-15,18,22-23H,1,4,16-17H2,2H3,(H2,30,31)
• InChIKey: XFJSEICQHPSWAI-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.59
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 143495280) is 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is C=CN(CC)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.

What is the InChIKey of 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is XFJSEICQHPSWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6/c1-3-34(4-2)23-16-22(17-23)29-33-26(27-28(30)31-14-15-35(27)29)21-11-10-20-12-13-24(32-25(20)18-21)19-8-6-5-7-9-19/h3,5-15,18,22-23H,1,4,16-17H2,2H3,(H2,30,31).

What are the key properties of 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 460.59 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143495280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).