2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole

C29H17N9O2 — CID 59514881

About 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole

2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 59514881) has the molecular formula C29H17N9O2 and a molecular weight of 523.52 g/mol. Its IUPAC name is 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole
• PubChem CID: 59514881
• Molecular Formula: C29H17N9O2
• Molecular Weight: 523.52 g/mol
• Exact Mass: 523.15
• IUPAC Name: 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole
• SMILES: c1ccc(-c2cccc(-c3nnc(-c4cccc(-c5nnc(-c6cccc(-c7ccccn7)n6)o5)n4)o3)n2)nc1
• InChI: InChI=1S/C29H17N9O2/c1-3-16-30-18(8-1)20-10-5-12-22(32-20)26-35-37-28(39-26)24-14-7-15-25(34-24)29-38-36-27(40-29)23-13-6-11-21(33-23)19-9-2-4-17-31-19/h1-17H
• InChIKey: STGNEPJIQHBYEL-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 142.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	523.52
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole (CID 59514881) is 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole is c1ccc(-c2cccc(-c3nnc(-c4cccc(-c5nnc(-c6cccc(-c7ccccn7)n6)o5)n4)o3)n2)nc1.

What is the InChIKey of 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole?

The InChIKey is STGNEPJIQHBYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N9O2/c1-3-16-30-18(8-1)20-10-5-12-22(32-20)26-35-37-28(39-26)24-14-7-15-25(34-24)29-38-36-27(40-29)23-13-6-11-21(33-23)19-9-2-4-17-31-19/h1-17H.

What are the key properties of 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole?

2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 523.52 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59514881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).