5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide

C46H55N11O7 — CID 167283021

About 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide

5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide (PubChem CID 167283021) has the molecular formula C46H55N11O7 and a molecular weight of 874.02 g/mol. Its IUPAC name is 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
• PubChem CID: 167283021
• Molecular Formula: C46H55N11O7
• Molecular Weight: 874.02 g/mol
• Exact Mass: 873.43
• IUPAC Name: 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
• SMILES: CCCC1CCN([C@@H]2CCCN(c3nnc(C(N)=O)c(Nc4ccc(C5CCN(C(=O)C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)n3)C2)C(=O)C1
• InChI: InChI=1S/C46H55N11O7/c1-2-4-27-14-22-56(38(59)23-27)33-5-3-18-55(26-33)46-50-41(39(40(47)60)51-52-46)48-31-8-6-28(7-9-31)29-15-19-53(20-16-29)43(62)30-17-21-54(25-30)32-10-11-34-35(24-32)45(64)57(44(34)63)36-12-13-37(58)49-42(36)61/h6-11,24,27,29-30,33,36H,2-5,12-23,25-26H2,1H3,(H2,47,60)(H,48,50,52)(H,49,58,61)/t27?,30?,33-,36?/m1/s1
• InChIKey: SAFZQMMOMRFGKV-XBPMHZNOSA-N
• XLogP: 3.36
• TPSA: 224.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.02
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

The IUPAC name of 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide (CID 167283021) is 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide is CCCC1CCN([C@@H]2CCCN(c3nnc(C(N)=O)c(Nc4ccc(C5CCN(C(=O)C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)n3)C2)C(=O)C1.

What is the InChIKey of 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

The InChIKey is SAFZQMMOMRFGKV-XBPMHZNOSA-N. The full InChI is InChI=1S/C46H55N11O7/c1-2-4-27-14-22-56(38(59)23-27)33-5-3-18-55(26-33)46-50-41(39(40(47)60)51-52-46)48-31-8-6-28(7-9-31)29-15-19-53(20-16-29)43(62)30-17-21-54(25-30)32-10-11-34-35(24-32)45(64)57(44(34)63)36-12-13-37(58)49-42(36)61/h6-11,24,27,29-30,33,36H,2-5,12-23,25-26H2,1H3,(H2,47,60)(H,48,50,52)(H,49,58,61)/t27?,30?,33-,36?/m1/s1.

What are the key properties of 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide has a molecular weight of 874.02 g/mol, XLogP of 3.36, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbonyl]piperidin-4-yl]anilino]-3-[(3R)-3-(2-oxo-4-propylpiperidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 167283021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).