[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone

C25H24N6O2 — CID 152832775

About [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone

[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 152832775) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
• PubChem CID: 152832775
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
• SMILES: Cc1ncc(-c2ccc(C(=O)N3CCNC(C)C3)cc2)nc1-c1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C25H24N6O2/c1-16-15-31(13-12-26-16)25(32)20-10-8-18(9-11-20)21-14-27-17(2)22(28-21)24-30-29-23(33-24)19-6-4-3-5-7-19/h3-11,14,16,26H,12-13,15H2,1-2H3
• InChIKey: SWOAMMXOAZAPTF-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone (CID 152832775) is [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone.

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

The canonical SMILES for [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone is Cc1ncc(-c2ccc(C(=O)N3CCNC(C)C3)cc2)nc1-c1nnc(-c2ccccc2)o1.

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

The InChIKey is SWOAMMXOAZAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-15-31(13-12-26-16)25(32)20-10-8-18(9-11-20)21-14-27-17(2)22(28-21)24-30-29-23(33-24)19-6-4-3-5-7-19/h3-11,14,16,26H,12-13,15H2,1-2H3.

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

[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 440.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 152832775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).