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

C44H39N9O5 — CID 171809556

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

5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 171809556) has the molecular formula C44H39N9O5 and a molecular weight of 773.85 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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
• PubChem CID: 171809556
• Molecular Formula: C44H39N9O5
• Molecular Weight: 773.85 g/mol
• Exact Mass: 773.31
• IUPAC Name: 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
• SMILES: CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCc5ccnc(-c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)c5)nc4)ncc23)c2n1CCN(C(C)=O)C2
• InChI: InChI=1S/C44H39N9O5/c1-3-39-49-41(38-24-51(25(2)54)16-17-52(38)39)30-8-4-6-27-19-35(47-22-32(27)30)28-10-11-34(46-21-28)42(56)48-20-26-14-15-45-36(18-26)29-7-5-9-31-33(29)23-53(44(31)58)37-12-13-40(55)50-43(37)57/h4-11,14-15,18-19,21-22,37H,3,12-13,16-17,20,23-24H2,1-2H3,(H,48,56)(H,50,55,57)
• InChIKey: OMCTZNUUCDXLIF-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 172.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	773.85
LogP ≤ 5	4.84
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 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide (CID 171809556) is 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide is CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCc5ccnc(-c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)c5)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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide?

The InChIKey is OMCTZNUUCDXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N9O5/c1-3-39-49-41(38-24-51(25(2)54)16-17-52(38)39)30-8-4-6-27-19-35(47-22-32(27)30)28-10-11-34(46-21-28)42(56)48-20-26-14-15-45-36(18-26)29-7-5-9-31-33(29)23-53(44(31)58)37-12-13-40(55)50-43(37)57/h4-11,14-15,18-19,21-22,37H,3,12-13,16-17,20,23-24H2,1-2H3,(H,48,56)(H,50,55,57).

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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide?

5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 773.85 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171809556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).