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

C43H43N11O5 — CID 171809543

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

N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane (PubChem CID 171809543) has the molecular formula C43H43N11O5 and a molecular weight of 793.89 g/mol. Its IUPAC name is N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane
• PubChem CID: 171809543
• Molecular Formula: C43H43N11O5
• Molecular Weight: 793.89 g/mol
• Exact Mass: 793.34
• IUPAC Name: N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane
• SMILES: CC.CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCc5nc(-c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nn5C)nc4)ncc23)c2n1CCN(C=O)C2
• InChI: InChI=1S/C41H37N11O5.C2H6/c1-3-34-45-37(33-21-50(22-53)14-15-51(33)34)25-7-4-6-23-16-31(43-18-28(23)25)24-10-11-30(42-17-24)39(55)44-19-35-46-38(48-49(35)2)26-8-5-9-27-29(26)20-52(41(27)57)32-12-13-36(54)47-40(32)56;1-2/h4-11,16-18,22,32H,3,12-15,19-21H2,1-2H3,(H,44,55)(H,47,54,56);1-2H3
• InChIKey: KDEPWMBIEPOFEK-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 190.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.89
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane (CID 171809543) is N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-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-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane?

The canonical SMILES for N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane is CC.CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCc5nc(-c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nn5C)nc4)ncc23)c2n1CCN(C=O)C2.

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

The InChIKey is KDEPWMBIEPOFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37N11O5.C2H6/c1-3-34-45-37(33-21-50(22-53)14-15-51(33)34)25-7-4-6-23-16-31(43-18-28(23)25)24-10-11-30(42-17-24)39(55)44-19-35-46-38(48-49(35)2)26-8-5-9-27-29(26)20-52(41(27)57)32-12-13-36(54)47-40(32)56;1-2/h4-11,16-18,22,32H,3,12-15,19-21H2,1-2H3,(H,44,55)(H,47,54,56);1-2H3.

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

N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane has a molecular weight of 793.89 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methyl-1,2,4-triazol-3-yl]methyl]-5-[8-(3-ethyl-7-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 171809543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).