(3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

C₁₅H₁₇N₅O — CID 118051400

About (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

(3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (PubChem CID 118051400) has the molecular formula C₁₅H₁₇N₅O and a molecular weight of 283.33 g/mol. Its IUPAC name is (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

Molecular Properties

• Compound Name: (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
• PubChem CID: 118051400
• Molecular Formula: C₁₅H₁₇N₅O
• Molecular Weight: 283.33 g/mol
• Exact Mass: 283.14
• IUPAC Name: (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
• SMILES: c1cc2cc(C3=N[C@@]4(CN5CCC4CC5)ON3)ccn2n1
• InChI: InChI=1S/C15H17N5O/c1-5-16-20-8-2-11(9-13(1)20)14-17-15(21-18-14)10-19-6-3-12(15)4-7-19/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,17,18)/t15-/m0/s1
• InChIKey: BCMVEVRPPDEVAG-HNNXBMFYSA-N
• XLogP: 1.04
• TPSA: 54.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.33
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?

The IUPAC name of (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (CID 118051400) is (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

What is the SMILES notation for (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?

The canonical SMILES for (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is c1cc2cc(C3=N[C@@]4(CN5CCC4CC5)ON3)ccn2n1.

What is the InChIKey of (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?

The InChIKey is BCMVEVRPPDEVAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-5-16-20-8-2-11(9-13(1)20)14-17-15(21-18-14)10-19-6-3-12(15)4-7-19/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,17,18)/t15-/m0/s1.

What are the key properties of (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?

(3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] has a molecular weight of 283.33 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is sourced from PubChem (CID 118051400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118051400 — identifiers, structure, computed properties (public domain)

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