[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

C24H22N6O2 — CID 135137140

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 135137140) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
• PubChem CID: 135137140
• Molecular Formula: C24H22N6O2
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.18
• IUPAC Name: [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
• SMILES: C[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)C1
• InChI: InChI=1S/C24H22N6O2/c1-15-11-12-30(14-15)24(31)18-9-7-16(8-10-18)19-13-26-21(25)20(27-19)23-29-28-22(32-23)17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H2,25,26)/t15-/m1/s1
• InChIKey: MSTYPVZEZRPASZ-OAHLLOKOSA-N
• XLogP: 3.92
• TPSA: 111.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (CID 135137140) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.

What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is C[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)C1.

What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

The InChIKey is MSTYPVZEZRPASZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15-11-12-30(14-15)24(31)18-9-7-16(8-10-18)19-13-26-21(25)20(27-19)23-29-28-22(32-23)17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H2,25,26)/t15-/m1/s1.

What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 426.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 135137140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).