6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide

C26H32N8O5 — CID 155600119

About 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 155600119) has the molecular formula C26H32N8O5 and a molecular weight of 536.59 g/mol. Its IUPAC name is 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 155600119
• Molecular Formula: C26H32N8O5
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.25
• IUPAC Name: 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide
• SMILES: NC(=O)c1ccc(N2CCN(CCCCCOc3ccc4nn(C5CCC(=O)NC5=O)c(=O)n4c3)CC2)nc1
• InChI: InChI=1S/C26H32N8O5/c27-24(36)18-4-7-21(28-16-18)32-13-11-31(12-14-32)10-2-1-3-15-39-19-5-8-22-30-34(26(38)33(22)17-19)20-6-9-23(35)29-25(20)37/h4-5,7-8,16-17,20H,1-3,6,9-15H2,(H2,27,36)(H,29,35,37)
• InChIKey: DMXYOPDUERJDID-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 157.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide (CID 155600119) is 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCN(CCCCCOc3ccc4nn(C5CCC(=O)NC5=O)c(=O)n4c3)CC2)nc1.

What is the InChIKey of 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is DMXYOPDUERJDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O5/c27-24(36)18-4-7-21(28-16-18)32-13-11-31(12-14-32)10-2-1-3-15-39-19-5-8-22-30-34(26(38)33(22)17-19)20-6-9-23(35)29-25(20)37/h4-5,7-8,16-17,20H,1-3,6,9-15H2,(H2,27,36)(H,29,35,37).

What are the key properties of 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?

6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 0.34, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155600119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).