5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide

C43H40N8O5 — CID 171809583

About 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide

5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide (PubChem CID 171809583) has the molecular formula C43H40N8O5 and a molecular weight of 748.84 g/mol. Its IUPAC name is 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide
• PubChem CID: 171809583
• Molecular Formula: C43H40N8O5
• Molecular Weight: 748.84 g/mol
• Exact Mass: 748.31
• IUPAC Name: 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide
• SMILES: CCc1nc(-c2cccc3cc(-c4ccc(C(=O)N[C@H](C)CC#Cc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nc4)ncc23)c2n1CCN(C(C)=O)C2
• InChI: InChI=1S/C43H40N8O5/c1-4-38-47-40(37-24-49(26(3)52)18-19-50(37)38)30-12-7-11-28-20-35(45-22-32(28)30)29-14-15-34(44-21-29)41(54)46-25(2)8-5-9-27-10-6-13-31-33(27)23-51(43(31)56)36-16-17-39(53)48-42(36)55/h6-7,10-15,20-22,25,36H,4,8,16-19,23-24H2,1-3H3,(H,46,54)(H,48,53,55)/t25-,36?/m1/s1
• InChIKey: XWPXPPQQUFDKEF-NNHKGWTCSA-N
• XLogP: 4.41
• TPSA: 159.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	748.84
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide (CID 171809583) is 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide is CCc1nc(-c2cccc3cc(-c4ccc(C(=O)N[C@H](C)CC#Cc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nc4)ncc23)c2n1CCN(C(C)=O)C2.

What is the InChIKey of 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide?

The InChIKey is XWPXPPQQUFDKEF-NNHKGWTCSA-N. The full InChI is InChI=1S/C43H40N8O5/c1-4-38-47-40(37-24-49(26(3)52)18-19-50(37)38)30-12-7-11-28-20-35(45-22-32(28)30)29-14-15-34(44-21-29)41(54)46-25(2)8-5-9-27-10-6-13-31-33(27)23-51(43(31)56)36-16-17-39(53)48-42(36)55/h6-7,10-15,20-22,25,36H,4,8,16-19,23-24H2,1-3H3,(H,46,54)(H,48,53,55)/t25-,36?/m1/s1.

What are the key properties of 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide?

5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide has a molecular weight of 748.84 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[(2R)-5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-yn-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171809583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).