3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

C49H49N11O6 — CID 178164739

About 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 178164739) has the molecular formula C49H49N11O6 and a molecular weight of 888.00 g/mol. Its IUPAC name is 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
• PubChem CID: 178164739
• Molecular Formula: C49H49N11O6
• Molecular Weight: 888.00 g/mol
• Exact Mass: 887.39
• IUPAC Name: 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
• SMILES: CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2Oc2ccc(C3CCN(c4cccc5c(C6CCC(=O)NC6=O)nn(C)c45)CC3)cc2)ccnc1N1CCN(c2cccnc2)C1=O
• InChI: InChI=1S/C49H49N11O6/c1-5-35-36(19-23-51-45(35)59-27-26-58(49(59)64)33-8-7-22-50-29-33)37-16-13-32(60-47(65-4)54-56(3)48(60)63)28-41(37)66-34-14-11-30(12-15-34)31-20-24-57(25-21-31)40-10-6-9-38-43(53-55(2)44(38)40)39-17-18-42(61)52-46(39)62/h6-16,19,22-23,28-29,31,39H,5,17-18,20-21,24-27H2,1-4H3,(H,52,61,62)
• InChIKey: SVYBKJKJHQCCSG-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 174.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	888.00
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 178164739) is 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2Oc2ccc(C3CCN(c4cccc5c(C6CCC(=O)NC6=O)nn(C)c45)CC3)cc2)ccnc1N1CCN(c2cccnc2)C1=O.

What is the InChIKey of 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?

The InChIKey is SVYBKJKJHQCCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H49N11O6/c1-5-35-36(19-23-51-45(35)59-27-26-58(49(59)64)33-8-7-22-50-29-33)37-16-13-32(60-47(65-4)54-56(3)48(60)63)28-41(37)66-34-14-11-30(12-15-34)31-20-24-57(25-21-31)40-10-6-9-38-43(53-55(2)44(38)40)39-17-18-42(61)52-46(39)62/h6-16,19,22-23,28-29,31,39H,5,17-18,20-21,24-27H2,1-4H3,(H,52,61,62).

What are the key properties of 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?

3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 888.00 g/mol, XLogP of 6.63, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[4-[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)phenoxy]phenyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 178164739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).