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

C43H42N8O5 — CID 171809203

IUPAC5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide
SMILESCCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCC[C@H]5C[C@@H]5c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nc4)ncc23)c2n1CCN(C(C)=O)C2
InChIInChI=1S/C43H42N8O5/c1-3-38-47-40(37-23-49(24(2)52)16-17-50(37)38)29-8-4-6-25-19-35(46-21-32(25)29)27-10-11-34(45-20-27)41(54)44-15-14-26-18-31(26)28-7-5-9-30-33(28)22-51(43(30)56)36-12-13-39(53)48-42(36)55/h4-11,19-21,26,31,36H,3,12-18,22-23H2,1-2H3,(H,44,54)(H,48,53,55)/t26-,31-,36?/m0/s1
InChIKeyLFCILEMREJCZLQ-HMSXVZGZSA-N
MW750.86 g/mol
LogP4.77
Rot. Bonds9

About 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]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-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide (PubChem CID 171809203) has the molecular formula C43H42N8O5 and a molecular weight of 750.86 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-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide
PubChem CID171809203
Molecular FormulaC43H42N8O5
Molecular Weight750.86 g/mol
Exact Mass750.33
IUPAC Name5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide
SMILESCCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCC[C@H]5C[C@@H]5c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nc4)ncc23)c2n1CCN(C(C)=O)C2
InChIInChI=1S/C43H42N8O5/c1-3-38-47-40(37-23-49(24(2)52)16-17-50(37)38)29-8-4-6-25-19-35(46-21-32(25)29)27-10-11-34(45-20-27)41(54)44-15-14-26-18-31(26)28-7-5-9-30-33(28)22-51(43(30)56)36-12-13-39(53)48-42(36)55/h4-11,19-21,26,31,36H,3,12-18,22-23H2,1-2H3,(H,44,54)(H,48,53,55)/t26-,31-,36?/m0/s1
InChIKeyLFCILEMREJCZLQ-HMSXVZGZSA-N
XLogP4.77
TPSA159.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500750.86
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]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-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide (CID 171809203) is 5-[8-(7-acetyl-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]-N-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]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-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]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-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide is CCc1nc(-c2cccc3cc(-c4ccc(C(=O)NCC[C@H]5C[C@@H]5c5cccc6c5CN(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-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide?
The InChIKey is LFCILEMREJCZLQ-HMSXVZGZSA-N. The full InChI is InChI=1S/C43H42N8O5/c1-3-38-47-40(37-23-49(24(2)52)16-17-50(37)38)29-8-4-6-25-19-35(46-21-32(25)29)27-10-11-34(45-20-27)41(54)44-15-14-26-18-31(26)28-7-5-9-30-33(28)22-51(43(30)56)36-12-13-39(53)48-42(36)55/h4-11,19-21,26,31,36H,3,12-18,22-23H2,1-2H3,(H,44,54)(H,48,53,55)/t26-,31-,36?/m0/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-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]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-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide has a molecular weight of 750.86 g/mol, XLogP of 4.77, 9 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-[2-[(1R,2S)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 171809203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).