3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide

C43H52N10O5 — CID 170541321

About 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide

3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 170541321) has the molecular formula C43H52N10O5 and a molecular weight of 788.95 g/mol. Its IUPAC name is 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
• PubChem CID: 170541321
• Molecular Formula: C43H52N10O5
• Molecular Weight: 788.95 g/mol
• Exact Mass: 788.41
• IUPAC Name: 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
• SMILES: NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CC(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC4(CNC4)C3)CC2)cc1
• InChI: InChI=1S/C43H52N10O5/c44-38(55)37-39(49-34(22-47-37)52-15-2-1-3-16-52)48-30-9-7-26(8-10-30)27-13-17-51(18-14-27)23-29(28-19-43(20-28)24-45-25-43)21-46-32-6-4-5-31-36(32)42(58)53(41(31)57)33-11-12-35(54)50-40(33)56/h4-10,22,27-29,33,45-46H,1-3,11-21,23-25H2,(H2,44,55)(H,48,49)(H,50,54,56)
• InChIKey: JMOWSWQPWBTBTL-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 194.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.95
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?

The IUPAC name of 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide (CID 170541321) is 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CC(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC4(CNC4)C3)CC2)cc1.

What is the InChIKey of 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?

The InChIKey is JMOWSWQPWBTBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N10O5/c44-38(55)37-39(49-34(22-47-37)52-15-2-1-3-16-52)48-30-9-7-26(8-10-30)27-13-17-51(18-14-27)23-29(28-19-43(20-28)24-45-25-43)21-46-32-6-4-5-31-36(32)42(58)53(41(31)57)33-11-12-35(54)50-40(33)56/h4-10,22,27-29,33,45-46H,1-3,11-21,23-25H2,(H2,44,55)(H,48,49)(H,50,54,56).

What are the key properties of 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?

3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 788.95 g/mol, XLogP of 3.62, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[2-(2-azaspiro[3.3]heptan-6-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 170541321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).