[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C21H20N6O2 — CID 92566218

About [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 92566218) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
• PubChem CID: 92566218
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
• SMILES: Cn1nccc1C(=O)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1
• InChI: InChI=1S/C21H20N6O2/c1-26-17(7-11-23-26)21(28)27-12-8-15(9-13-27)19-24-25-20(29-19)18-16-5-3-2-4-14(16)6-10-22-18/h2-7,10-11,15H,8-9,12-13H2,1H3
• InChIKey: HJMDVMFNJAGGNU-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 89.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The IUPAC name of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 92566218) is [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

What is the SMILES notation for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The canonical SMILES for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1.

What is the InChIKey of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The InChIKey is HJMDVMFNJAGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26-17(7-11-23-26)21(28)27-12-8-15(9-13-27)19-24-25-20(29-19)18-16-5-3-2-4-14(16)6-10-22-18/h2-7,10-11,15H,8-9,12-13H2,1H3.

What are the key properties of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 388.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 92566218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).