N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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

C45H43N9O5 — CID 171808954

About N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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 171808954) has the molecular formula C45H43N9O5 and a molecular weight of 789.90 g/mol. Its IUPAC name is N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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: 171808954
• Molecular Formula: C45H43N9O5
• Molecular Weight: 789.90 g/mol
• Exact Mass: 789.34
• IUPAC Name: N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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)NCc5ccnc(-c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)c5)nc4)ncc23)c2n1CCN(C=O)C2
• InChI: InChI=1S/C43H37N9O5.C2H6/c1-2-38-48-40(37-23-50(24-53)15-16-51(37)38)29-7-3-5-26-18-34(46-21-31(26)29)27-9-10-33(45-20-27)41(55)47-19-25-13-14-44-35(17-25)28-6-4-8-30-32(28)22-52(43(30)57)36-11-12-39(54)49-42(36)56;1-2/h3-10,13-14,17-18,20-21,24,36H,2,11-12,15-16,19,22-23H2,1H3,(H,47,55)(H,49,54,56);1-2H3
• InChIKey: JFYIBIGZRFUKMN-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 172.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.90
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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 171808954) is N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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)NCc5ccnc(-c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)c5)nc4)ncc23)c2n1CCN(C=O)C2.

What is the InChIKey of N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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 JFYIBIGZRFUKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N9O5.C2H6/c1-2-38-48-40(37-23-50(24-53)15-16-51(37)38)29-7-3-5-26-18-34(46-21-31(26)29)27-9-10-33(45-20-27)41(55)47-19-25-13-14-44-35(17-25)28-6-4-8-30-32(28)22-52(43(30)57)36-11-12-39(54)49-42(36)56;1-2/h3-10,13-14,17-18,20-21,24,36H,2,11-12,15-16,19,22-23H2,1H3,(H,47,55)(H,49,54,56);1-2H3.

What are the key properties of N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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 789.90 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-pyridinyl]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 171808954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).