1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

C21H20N6O2 — CID 92576779

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

1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 92576779) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

• Compound Name: 1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
• PubChem CID: 92576779
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: 1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
• SMILES: O=C(Cn1cccn1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1
• InChI: InChI=1S/C21H20N6O2/c28-18(14-27-11-3-9-23-27)26-12-7-16(8-13-26)20-24-25-21(29-20)19-17-5-2-1-4-15(17)6-10-22-19/h1-6,9-11,16H,7-8,12-14H2
• InChIKey: VFCXEUJAZIAEMT-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 89.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 92576779) is 1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone.

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

The canonical SMILES for 1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1.

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

The InChIKey is VFCXEUJAZIAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-18(14-27-11-3-9-23-27)26-12-7-16(8-13-26)20-24-25-21(29-20)19-17-5-2-1-4-15(17)6-10-22-19/h1-6,9-11,16H,7-8,12-14H2.

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

1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 388.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 92576779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).