3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide

C41H46N8O6 — CID 157469085

About 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide

3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide (PubChem CID 157469085) has the molecular formula C41H46N8O6 and a molecular weight of 746.87 g/mol. Its IUPAC name is 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide
• PubChem CID: 157469085
• Molecular Formula: C41H46N8O6
• Molecular Weight: 746.87 g/mol
• Exact Mass: 746.35
• IUPAC Name: 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide
• SMILES: NC(=O)c1ncc(N2CCC3(COC3)C2)nc1Cc1ccc(C2CCN(C[C@H]3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)cc1
• InChI: InChI=1S/C41H46N8O6/c42-37(51)36-32(44-34(19-43-36)48-16-12-41(22-48)23-55-24-41)17-25-1-3-27(4-2-25)28-10-13-46(14-11-28)20-26-9-15-47(21-26)29-5-6-30-31(18-29)40(54)49(39(30)53)33-7-8-35(50)45-38(33)52/h1-6,18-19,26,28,33H,7-17,20-24H2,(H2,42,51)(H,45,50,52)/t26-,33?/m1/s1
• InChIKey: BUUWAUMJDYISFW-UOQVMRJOSA-N
• XLogP: 2.50
• TPSA: 171.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.87
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide (CID 157469085) is 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide is NC(=O)c1ncc(N2CCC3(COC3)C2)nc1Cc1ccc(C2CCN(C[C@H]3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)cc1.

What is the InChIKey of 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide?

The InChIKey is BUUWAUMJDYISFW-UOQVMRJOSA-N. The full InChI is InChI=1S/C41H46N8O6/c42-37(51)36-32(44-34(19-43-36)48-16-12-41(22-48)23-55-24-41)17-25-1-3-27(4-2-25)28-10-13-46(14-11-28)20-26-9-15-47(21-26)29-5-6-30-31(18-29)40(54)49(39(30)53)33-7-8-35(50)45-38(33)52/h1-6,18-19,26,28,33H,7-17,20-24H2,(H2,42,51)(H,45,50,52)/t26-,33?/m1/s1.

What are the key properties of 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide?

3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide has a molecular weight of 746.87 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]methyl]-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 157469085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).