5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine

C22H21N7O2 — CID 66826552

About 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine

5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine (PubChem CID 66826552) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine
• PubChem CID: 66826552
• Molecular Formula: C22H21N7O2
• Molecular Weight: 415.46 g/mol
• Exact Mass: 415.18
• IUPAC Name: 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine
• SMILES: Nc1ccc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1
• InChI: InChI=1S/C22H21N7O2/c23-19-5-2-14(8-25-19)18-4-3-16(10-24-18)22(6-1-7-22)21-27-20(31-28-21)15-9-26-29(11-15)17-12-30-13-17/h2-5,8-11,17H,1,6-7,12-13H2,(H2,23,25)
• InChIKey: VIBVAXDIZBKQDW-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 117.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.46
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine?

The IUPAC name of 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine (CID 66826552) is 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine.

What is the SMILES notation for 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine?

The canonical SMILES for 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine is Nc1ccc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1.

What is the InChIKey of 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine?

The InChIKey is VIBVAXDIZBKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c23-19-5-2-14(8-25-19)18-4-3-16(10-24-18)22(6-1-7-22)21-27-20(31-28-21)15-9-26-29(11-15)17-12-30-13-17/h2-5,8-11,17H,1,6-7,12-13H2,(H2,23,25).

What are the key properties of 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine?

5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 415.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 66826552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).