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

C43H43N9O5 — CID 171809767

About 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 171809767) has the molecular formula C43H43N9O5 and a molecular weight of 765.88 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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 171809767
• Molecular Formula: C43H43N9O5
• Molecular Weight: 765.88 g/mol
• Exact Mass: 765.34
• IUPAC Name: 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
• SMILES: CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NC[C@H]5CCN(c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)C5)nc4)ncc23)c2n1CCN(C(C)=O)C2
• InChI: InChI=1S/C43H43N9O5/c1-3-38-47-40(37-24-49(25(2)53)16-17-51(37)38)29-7-4-6-27-18-34(45-21-31(27)29)28-10-11-33(44-20-28)41(55)46-19-26-14-15-50(22-26)35-9-5-8-30-32(35)23-52(43(30)57)36-12-13-39(54)48-42(36)56/h4-11,18,20-21,26,36H,3,12-17,19,22-24H2,1-2H3,(H,46,55)(H,48,54,56)/t26-,36?/m1/s1
• InChIKey: MLDNATFJFAGOFI-IERCKHOLSA-N
• XLogP: 4.10
• TPSA: 162.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	765.88
LogP ≤ 5	4.10
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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide (CID 171809767) is 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide is CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NC[C@H]5CCN(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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?

The InChIKey is MLDNATFJFAGOFI-IERCKHOLSA-N. The full InChI is InChI=1S/C43H43N9O5/c1-3-38-47-40(37-24-49(25(2)53)16-17-51(37)38)29-7-4-6-27-18-34(45-21-31(27)29)28-10-11-33(44-20-28)41(55)46-19-26-14-15-50(22-26)35-9-5-8-30-32(35)23-52(43(30)57)36-12-13-39(54)48-42(36)56/h4-11,18,20-21,26,36H,3,12-17,19,22-24H2,1-2H3,(H,46,55)(H,48,54,56)/t26-,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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 765.88 g/mol, XLogP of 4.10, 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-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171809767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).