3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione

C51H53FN10O5 — CID 178164946

About 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione

3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione (PubChem CID 178164946) has the molecular formula C51H53FN10O5 and a molecular weight of 905.05 g/mol. Its IUPAC name is 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione
• PubChem CID: 178164946
• Molecular Formula: C51H53FN10O5
• Molecular Weight: 905.05 g/mol
• Exact Mass: 904.42
• IUPAC Name: 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione
• SMILES: CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2-c2ccc(N3CCC(N4CCC(c5ccc(C6CCC(=O)NC6=O)cc5F)C4)CC3)cc2)ccnc1N1CCN(c2cccnc2)C1=O
• InChI: InChI=1S/C51H53FN10O5/c1-4-39-43(17-22-54-47(39)61-27-26-60(51(61)66)38-6-5-21-53-30-38)42-14-12-37(62-49(67-3)56-57(2)50(62)65)29-44(42)32-7-10-35(11-8-32)58-24-19-36(20-25-58)59-23-18-34(31-59)40-13-9-33(28-45(40)52)41-15-16-46(63)55-48(41)64/h5-14,17,21-22,28-30,34,36,41H,4,15-16,18-20,23-27,31H2,1-3H3,(H,55,63,64)
• InChIKey: OFBJHGFZXJQMQL-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 151.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.05
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
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-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione (CID 178164946) is 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione is CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2-c2ccc(N3CCC(N4CCC(c5ccc(C6CCC(=O)NC6=O)cc5F)C4)CC3)cc2)ccnc1N1CCN(c2cccnc2)C1=O.

What is the InChIKey of 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione?

The InChIKey is OFBJHGFZXJQMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53FN10O5/c1-4-39-43(17-22-54-47(39)61-27-26-60(51(61)66)38-6-5-21-53-30-38)42-14-12-37(62-49(67-3)56-57(2)50(62)65)29-44(42)32-7-10-35(11-8-32)58-24-19-36(20-25-58)59-23-18-34(31-59)40-13-9-33(28-45(40)52)41-15-16-46(63)55-48(41)64/h5-14,17,21-22,28-30,34,36,41H,4,15-16,18-20,23-27,31H2,1-3H3,(H,55,63,64).

What are the key properties of 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione?

3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione has a molecular weight of 905.05 g/mol, XLogP of 6.83, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[1-[4-[2-[3-ethyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-5-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]phenyl]piperidin-4-yl]pyrrolidin-3-yl]-3-fluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 178164946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).