3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione

C45H49N11O5 — CID 178164621

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

3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 178164621) has the molecular formula C45H49N11O5 and a molecular weight of 823.96 g/mol. Its IUPAC name is 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione
• PubChem CID: 178164621
• Molecular Formula: C45H49N11O5
• Molecular Weight: 823.96 g/mol
• Exact Mass: 823.39
• IUPAC Name: 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione
• SMILES: CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2N2CCC(CCc3cccc4c(C5CCC(=O)NC5=O)nn(C)c34)CC2)ccnc1N1CCN(c2cccnc2)C1=O
• InChI: InChI=1S/C45H49N11O5/c1-5-32-33(17-21-47-41(32)55-25-24-54(45(55)60)31-9-7-20-46-27-31)34-14-13-30(56-43(61-4)50-52(3)44(56)59)26-37(34)53-22-18-28(19-23-53)11-12-29-8-6-10-35-39(49-51(2)40(29)35)36-15-16-38(57)48-42(36)58/h6-10,13-14,17,20-21,26-28,36H,5,11-12,15-16,18-19,22-25H2,1-4H3,(H,48,57,58)
• InChIKey: YAUSKKFXDMSINZ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 165.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.96
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
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 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 178164621) is 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione is CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2N2CCC(CCc3cccc4c(C5CCC(=O)NC5=O)nn(C)c34)CC2)ccnc1N1CCN(c2cccnc2)C1=O.

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

The InChIKey is YAUSKKFXDMSINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49N11O5/c1-5-32-33(17-21-47-41(32)55-25-24-54(45(55)60)31-9-7-20-46-27-31)34-14-13-30(56-43(61-4)50-52(3)44(56)59)26-37(34)53-22-18-28(19-23-53)11-12-29-8-6-10-35-39(49-51(2)40(29)35)36-15-16-38(57)48-42(36)58/h6-10,13-14,17,20-21,26-28,36H,5,11-12,15-16,18-19,22-25H2,1-4H3,(H,48,57,58).

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

3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 823.96 g/mol, XLogP of 5.30, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[2-[1-[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]piperidin-4-yl]ethyl]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 178164621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).