5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C19H22N6O — CID 120840795

About 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 120840795) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 120840795
• Molecular Formula: C19H22N6O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
• SMILES: Cc1cc(C)n(-c2ccc(-c3noc(C4CC45CCNCC5)n3)cn2)n1
• InChI: InChI=1S/C19H22N6O/c1-12-9-13(2)25(23-12)16-4-3-14(11-21-16)17-22-18(26-24-17)15-10-19(15)5-7-20-8-6-19/h3-4,9,11,15,20H,5-8,10H2,1-2H3
• InChIKey: MNGGOMIBWMZMIW-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 81.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 120840795) is 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is Cc1cc(C)n(-c2ccc(-c3noc(C4CC45CCNCC5)n3)cn2)n1.

What is the InChIKey of 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is MNGGOMIBWMZMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-9-13(2)25(23-12)16-4-3-14(11-21-16)17-22-18(26-24-17)15-10-19(15)5-7-20-8-6-19/h3-4,9,11,15,20H,5-8,10H2,1-2H3.

What are the key properties of 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 350.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120840795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).