3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

C47H53N13O5 — CID 178164448

About 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 178164448) has the molecular formula C47H53N13O5 and a molecular weight of 880.03 g/mol. Its IUPAC name is 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
• PubChem CID: 178164448
• Molecular Formula: C47H53N13O5
• Molecular Weight: 880.03 g/mol
• Exact Mass: 879.43
• IUPAC Name: 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
• SMILES: CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2N2CCC(N3CCN(c4ccc5c(C6CCC(=O)NC6=O)nn(C)c5c4)CC3)CC2)ccnc1N1CCN(c2cccnc2)C1=O
• InChI: InChI=1S/C47H53N13O5/c1-5-34-35(14-18-49-43(34)59-26-25-58(47(59)64)33-7-6-17-48-29-33)36-10-9-32(60-45(65-4)52-54(3)46(60)63)28-40(36)57-19-15-30(16-20-57)55-21-23-56(24-22-55)31-8-11-37-39(27-31)53(2)51-42(37)38-12-13-41(61)50-44(38)62/h6-11,14,17-18,27-30,38H,5,12-13,15-16,19-26H2,1-4H3,(H,50,61,62)
• InChIKey: KVKCLLOJKUONMJ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 172.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.03
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 178164448) is 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is CCc1c(-c2ccc(-n3c(OC)nn(C)c3=O)cc2N2CCC(N3CCN(c4ccc5c(C6CCC(=O)NC6=O)nn(C)c5c4)CC3)CC2)ccnc1N1CCN(c2cccnc2)C1=O.

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

The InChIKey is KVKCLLOJKUONMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H53N13O5/c1-5-34-35(14-18-49-43(34)59-26-25-58(47(59)64)33-7-6-17-48-29-33)36-10-9-32(60-45(65-4)52-54(3)46(60)63)28-40(36)57-19-15-30(16-20-57)55-21-23-56(24-22-55)31-8-11-37-39(27-31)53(2)51-42(37)38-12-13-41(61)50-44(38)62/h6-11,14,17-18,27-30,38H,5,12-13,15-16,19-26H2,1-4H3,(H,50,61,62).

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

3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 880.03 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[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]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 178164448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).