3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C32H27N5O2 — CID 71762926

About 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 71762926) has the molecular formula C32H27N5O2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
• PubChem CID: 71762926
• Molecular Formula: C32H27N5O2
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.22
• IUPAC Name: 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
• SMILES: CC1(O)CC(c2nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
• InChI: InChI=1S/C32H27N5O2/c1-32(38)18-22(19-32)31-36-28(29-30(33)34-14-15-37(29)31)21-12-13-24-26(16-21)35-25(20-8-4-2-5-9-20)17-27(24)39-23-10-6-3-7-11-23/h2-17,22,38H,18-19H2,1H3,(H2,33,34)
• InChIKey: RIQCSDFOELEOLO-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 98.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?

The IUPAC name of 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 71762926) is 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

What is the SMILES notation for 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?

The canonical SMILES for 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(c2nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.

What is the InChIKey of 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?

The InChIKey is RIQCSDFOELEOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O2/c1-32(38)18-22(19-32)31-36-28(29-30(33)34-14-15-37(29)31)21-12-13-24-26(16-21)35-25(20-8-4-2-5-9-20)17-27(24)39-23-10-6-3-7-11-23/h2-17,22,38H,18-19H2,1H3,(H2,33,34).

What are the key properties of 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?

3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 513.60 g/mol, XLogP of 6.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-amino-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 71762926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).