1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione

C48H51N7O7 — CID 171809696

About 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione

1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171809696) has the molecular formula C48H51N7O7 and a molecular weight of 837.98 g/mol. Its IUPAC name is 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171809696
• Molecular Formula: C48H51N7O7
• Molecular Weight: 837.98 g/mol
• Exact Mass: 837.38
• IUPAC Name: 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5ccc(O)cc5)ncc34)c2C1.O=C1CCC(N2Cc3c(CCC(=O)N4CCCC4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C28H28N4O3.C20H23N3O4/c1-18(33)31-11-12-32-26(17-31)27(30-28(32)20-9-13-35-14-10-20)23-4-2-3-21-15-25(29-16-24(21)23)19-5-7-22(34)8-6-19;24-17-8-7-16(19(26)21-17)23-12-15-13(4-3-5-14(15)20(23)27)6-9-18(25)22-10-1-2-11-22/h2-8,15-16,20,34H,9-14,17H2,1H3;3-5,16H,1-2,6-12H2,(H,21,24,26)
• InChIKey: ZXWVXBKQJUGJGS-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 167.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.98
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171809696) is 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione is CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5ccc(O)cc5)ncc34)c2C1.O=C1CCC(N2Cc3c(CCC(=O)N4CCCC4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ZXWVXBKQJUGJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3.C20H23N3O4/c1-18(33)31-11-12-32-26(17-31)27(30-28(32)20-9-13-35-14-10-20)23-4-2-3-21-15-25(29-16-24(21)23)19-5-7-22(34)8-6-19;24-17-8-7-16(19(26)21-17)23-12-15-13(4-3-5-14(15)20(23)27)6-9-18(25)22-10-1-2-11-22/h2-8,15-16,20,34H,9-14,17H2,1H3;3-5,16H,1-2,6-12H2,(H,21,24,26).

What are the key properties of 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 837.98 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(4-hydroxyphenyl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;3-[3-oxo-7-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171809696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).