2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one

C24H23N7O2 — CID 66562564

About 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one

2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one (PubChem CID 66562564) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one
• PubChem CID: 66562564
• Molecular Formula: C24H23N7O2
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.19
• IUPAC Name: 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one
• SMILES: CC(C)(C(=O)N1CCC1)c1cc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)ccn1
• InChI: InChI=1S/C24H23N7O2/c1-24(2,23(32)31-11-6-12-31)18-13-16(9-10-26-18)17-14-27-20(25)19(28-17)22-30-29-21(33-22)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,25,27)
• InChIKey: VRLQWKVDCURTSO-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 123.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one?

The IUPAC name of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one (CID 66562564) is 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one.

What is the SMILES notation for 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one?

The canonical SMILES for 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCC1)c1cc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)ccn1.

What is the InChIKey of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one?

The InChIKey is VRLQWKVDCURTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-24(2,23(32)31-11-6-12-31)18-13-16(9-10-26-18)17-14-27-20(25)19(28-17)22-30-29-21(33-22)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,25,27).

What are the key properties of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one?

2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one has a molecular weight of 441.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 66562564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).