3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol

C26H23N5O2 — CID 68830716

About 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol

3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol (PubChem CID 68830716) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol
• PubChem CID: 68830716
• Molecular Formula: C26H23N5O2
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.19
• IUPAC Name: 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol
• SMILES: Nc1nccn2c(-c3ccc4ccc(-c5ccccc5)nc4c3)nc(C3CC(O)(CO)C3)c12
• InChI: InChI=1S/C26H23N5O2/c27-24-23-22(19-13-26(33,14-19)15-32)30-25(31(23)11-10-28-24)18-7-6-17-8-9-20(29-21(17)12-18)16-4-2-1-3-5-16/h1-12,19,32-33H,13-15H2,(H2,27,28)
• InChIKey: WVVITAPRUKYVFA-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 109.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol?

The IUPAC name of 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol (CID 68830716) is 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol.

What is the SMILES notation for 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol?

The canonical SMILES for 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol is Nc1nccn2c(-c3ccc4ccc(-c5ccccc5)nc4c3)nc(C3CC(O)(CO)C3)c12.

What is the InChIKey of 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol?

The InChIKey is WVVITAPRUKYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c27-24-23-22(19-13-26(33,14-19)15-32)30-25(31(23)11-10-28-24)18-7-6-17-8-9-20(29-21(17)12-18)16-4-2-1-3-5-16/h1-12,19,32-33H,13-15H2,(H2,27,28).

What are the key properties of 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol?

3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol has a molecular weight of 437.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 68830716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).