2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

C₂₀H₂₇N₅O — CID 127039505

About 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 127039505) has the molecular formula C₂₀H₂₇N₅O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
• PubChem CID: 127039505
• Molecular Formula: C₂₀H₂₇N₅O
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.22
• IUPAC Name: 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
• SMILES: CC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)c2ccccn12
• InChI: InChI=1S/C20H27N5O/c1-13(2)18-21-17(16-7-5-6-10-25(16)18)20-23-22-19(26-20)15-8-11-24(12-9-15)14(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3
• InChIKey: PDFYCKFWESZNCX-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 59.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?

The IUPAC name of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (CID 127039505) is 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?

The canonical SMILES for 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is CC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)c2ccccn12.

What is the InChIKey of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?

The InChIKey is PDFYCKFWESZNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)18-21-17(16-7-5-6-10-25(16)18)20-23-22-19(26-20)15-8-11-24(12-9-15)14(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3.

What are the key properties of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?

2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 353.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127039505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 127039505 — identifiers, structure, computed properties (public domain)

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