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

C31H34N6 — CID 71095809

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

3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71095809) has the molecular formula C31H34N6 and a molecular weight of 490.66 g/mol. Its IUPAC name is 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 71095809
• Molecular Formula: C31H34N6
• Molecular Weight: 490.66 g/mol
• Exact Mass: 490.28
• IUPAC Name: 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: CCCN(CCC)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
• InChI: InChI=1S/C31H34N6/c1-3-15-36(16-4-2)25-18-24(19-25)31-35-28(29-30(32)33-14-17-37(29)31)23-11-10-22-12-13-26(34-27(22)20-23)21-8-6-5-7-9-21/h5-14,17,20,24-25H,3-4,15-16,18-19H2,1-2H3,(H2,32,33)
• InChIKey: KJSLFYDFSSDNFI-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.66
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 71095809) is 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

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

The canonical SMILES for 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CCCN(CCC)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.

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

The InChIKey is KJSLFYDFSSDNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6/c1-3-15-36(16-4-2)25-18-24(19-25)31-35-28(29-30(32)33-14-17-37(29)31)23-11-10-22-12-13-26(34-27(22)20-23)21-8-6-5-7-9-21/h5-14,17,20,24-25H,3-4,15-16,18-19H2,1-2H3,(H2,32,33).

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

3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 490.66 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71095809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).