5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide

C50H60N12O5 — CID 167282518

About 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide

5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide (PubChem CID 167282518) has the molecular formula C50H60N12O5 and a molecular weight of 909.11 g/mol. Its IUPAC name is 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
• PubChem CID: 167282518
• Molecular Formula: C50H60N12O5
• Molecular Weight: 909.11 g/mol
• Exact Mass: 908.48
• IUPAC Name: 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
• SMILES: CN1C(=O)C(C2CCC(=O)NC2=O)Cc2ccc(N3CCC(CN4CCC(c5ccc(Nc6nc(N7CCCC(N8CCN(c9ccccc9)C8=O)C7)nnc6C(N)=O)cc5)CC4)CC3)cc21
• InChI: InChI=1S/C50H60N12O5/c1-57-42-29-38(14-11-35(42)28-41(48(57)66)40-15-16-43(63)53-47(40)65)59-24-17-32(18-25-59)30-58-22-19-34(20-23-58)33-9-12-36(13-10-33)52-46-44(45(51)64)55-56-49(54-46)60-21-5-8-39(31-60)62-27-26-61(50(62)67)37-6-3-2-4-7-37/h2-4,6-7,9-14,29,32,34,39-41H,5,8,15-28,30-31H2,1H3,(H2,51,64)(H,52,54,56)(H,53,63,65)
• InChIKey: LDBWNBPEEFFXMR-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 193.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.11
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
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 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

The IUPAC name of 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide (CID 167282518) is 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide is CN1C(=O)C(C2CCC(=O)NC2=O)Cc2ccc(N3CCC(CN4CCC(c5ccc(Nc6nc(N7CCCC(N8CCN(c9ccccc9)C8=O)C7)nnc6C(N)=O)cc5)CC4)CC3)cc21.

What is the InChIKey of 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

The InChIKey is LDBWNBPEEFFXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60N12O5/c1-57-42-29-38(14-11-35(42)28-41(48(57)66)40-15-16-43(63)53-47(40)65)59-24-17-32(18-25-59)30-58-22-19-34(20-23-58)33-9-12-36(13-10-33)52-46-44(45(51)64)55-56-49(54-46)60-21-5-8-39(31-60)62-27-26-61(50(62)67)37-6-3-2-4-7-37/h2-4,6-7,9-14,29,32,34,39-41H,5,8,15-28,30-31H2,1H3,(H2,51,64)(H,52,54,56)(H,53,63,65).

What are the key properties of 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide?

5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide has a molecular weight of 909.11 g/mol, XLogP of 4.91, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-3-[3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 167282518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).