N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane

C48H52N8O6 — CID 171808920

About N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane

N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane (PubChem CID 171808920) has the molecular formula C48H52N8O6 and a molecular weight of 836.99 g/mol. Its IUPAC name is N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane
• PubChem CID: 171808920
• Molecular Formula: C48H52N8O6
• Molecular Weight: 836.99 g/mol
• Exact Mass: 836.40
• IUPAC Name: N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane
• SMILES: CC.O=CN1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5ccc(C(=O)NCCC6CC(c7cccc8c7CN(C7CCC(=O)NC7=O)C8=O)C6)nc5)ncc34)c2C1
• InChI: InChI=1S/C46H46N8O6.C2H6/c55-26-52-15-16-53-40(25-52)42(51-43(53)28-12-17-60-18-13-28)33-5-1-3-29-21-38(49-23-35(29)33)30-7-8-37(48-22-30)44(57)47-14-11-27-19-31(20-27)32-4-2-6-34-36(32)24-54(46(34)59)39-9-10-41(56)50-45(39)58;1-2/h1-8,21-23,26-28,31,39H,9-20,24-25H2,(H,47,57)(H,50,56,58);1-2H3
• InChIKey: BXFHPYYPEFFYPX-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 168.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.99
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane?

The IUPAC name of N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane (CID 171808920) is N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane.

What is the SMILES notation for N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane?

The canonical SMILES for N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane is CC.O=CN1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5ccc(C(=O)NCCC6CC(c7cccc8c7CN(C7CCC(=O)NC7=O)C8=O)C6)nc5)ncc34)c2C1.

What is the InChIKey of N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane?

The InChIKey is BXFHPYYPEFFYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N8O6.C2H6/c55-26-52-15-16-53-40(25-52)42(51-43(53)28-12-17-60-18-13-28)33-5-1-3-29-21-38(49-23-35(29)33)30-7-8-37(48-22-30)44(57)47-14-11-27-19-31(20-27)32-4-2-6-34-36(32)24-54(46(34)59)39-9-10-41(56)50-45(39)58;1-2/h1-8,21-23,26-28,31,39H,9-20,24-25H2,(H,47,57)(H,50,56,58);1-2H3.

What are the key properties of N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane?

N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane has a molecular weight of 836.99 g/mol, XLogP of 6.13, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]-5-[8-[7-formyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 171808920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).