3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen

C42H54N10O5 — CID 167535088

About 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen

3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 167535088) has the molecular formula C42H54N10O5 and a molecular weight of 778.96 g/mol. Its IUPAC name is 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen
• PubChem CID: 167535088
• Molecular Formula: C42H54N10O5
• Molecular Weight: 778.96 g/mol
• Exact Mass: 778.43
• IUPAC Name: 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen
• SMILES: CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5(C)CCN(CCCc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4)n3)C2)C1=O.[H][H]
• InChI: InChI=1S/C42H52N10O5.H2/c1-42(16-20-49(21-17-42)18-4-7-27-6-3-9-31-32(27)26-52(40(31)56)33-14-15-35(53)47-39(33)55)28-10-12-29(13-11-28)45-38-36(37(43)54)44-24-34(46-38)50-19-5-8-30(25-50)51-23-22-48(2)41(51)57;/h3,6,9-13,24,30,33H,4-5,7-8,14-23,25-26H2,1-2H3,(H2,43,54)(H,45,46)(H,47,53,55);1H/t30-,33?;/m1./s1
• InChIKey: ALOORBYUAOZURG-LYPOANKCSA-N
• XLogP: 3.65
• TPSA: 177.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	778.96
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
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 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

The IUPAC name of 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen (CID 167535088) is 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

The canonical SMILES for 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen is CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5(C)CCN(CCCc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4)n3)C2)C1=O.[H][H].

What is the InChIKey of 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

The InChIKey is ALOORBYUAOZURG-LYPOANKCSA-N. The full InChI is InChI=1S/C42H52N10O5.H2/c1-42(16-20-49(21-17-42)18-4-7-27-6-3-9-31-32(27)26-52(40(31)56)33-14-15-35(53)47-39(33)55)28-10-12-29(13-11-28)45-38-36(37(43)54)44-24-34(46-38)50-19-5-8-30(25-50)51-23-22-48(2)41(51)57;/h3,6,9-13,24,30,33H,4-5,7-8,14-23,25-26H2,1-2H3,(H2,43,54)(H,45,46)(H,47,53,55);1H/t30-,33?;/m1./s1.

What are the key properties of 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 778.96 g/mol, XLogP of 3.65, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-4-methylpiperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167535088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).