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

C42H39N9O5 — CID 171809086

About 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-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-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide (PubChem CID 171809086) has the molecular formula C42H39N9O5 and a molecular weight of 749.83 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-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-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-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 171809086
• Molecular Formula: C42H39N9O5
• Molecular Weight: 749.83 g/mol
• Exact Mass: 749.31
• IUPAC Name: 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide
• SMILES: CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCc5cc6c7c(ccc6n5C)C(=O)N(C5CCC(=O)NC5=O)C7)nc4)ncc23)c2n1CCN(C(C)=O)C2
• InChI: InChI=1S/C42H39N9O5/c1-4-37-46-39(36-22-49(23(2)52)14-15-50(36)37)27-7-5-6-24-16-33(44-20-30(24)27)25-8-10-32(43-18-25)40(54)45-19-26-17-29-31-21-51(35-12-13-38(53)47-41(35)55)42(56)28(31)9-11-34(29)48(26)3/h5-11,16-18,20,35H,4,12-15,19,21-22H2,1-3H3,(H,45,54)(H,47,53,55)
• InChIKey: PHYRBOUTQKPOLR-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 164.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	749.83
LogP ≤ 5	4.27
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-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-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-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide (CID 171809086) is 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-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-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-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-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide is CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCc5cc6c7c(ccc6n5C)C(=O)N(C5CCC(=O)NC5=O)C7)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-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide?

The InChIKey is PHYRBOUTQKPOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N9O5/c1-4-37-46-39(36-22-49(23(2)52)14-15-50(36)37)27-7-5-6-24-16-33(44-20-30(24)27)25-8-10-32(43-18-25)40(54)45-19-26-17-29-31-21-51(35-12-13-38(53)47-41(35)55)42(56)28(31)9-11-34(29)48(26)3/h5-11,16-18,20,35H,4,12-15,19,21-22H2,1-3H3,(H,45,54)(H,47,53,55).

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-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-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-[[2-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide has a molecular weight of 749.83 g/mol, XLogP of 4.27, 7 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-(2,6-dioxopiperidin-3-yl)-6-methyl-3-oxo-1H-pyrrolo[3,4-e]indol-7-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171809086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).