2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine

C27H23F3N2 — CID 170693276

About 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine

2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine (PubChem CID 170693276) has the molecular formula C27H23F3N2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine.

Molecular Properties

• Compound Name: 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine
• PubChem CID: 170693276
• Molecular Formula: C27H23F3N2
• Molecular Weight: 432.49 g/mol
• Exact Mass: 432.18
• IUPAC Name: 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine
• SMILES: CC(Cc1ccccc1)Cc1ncc(-c2ccccc2)nc1Cc1cc(F)cc(F)c1F
• InChI: InChI=1S/C27H23F3N2/c1-18(12-19-8-4-2-5-9-19)13-24-25(15-21-14-22(28)16-23(29)27(21)30)32-26(17-31-24)20-10-6-3-7-11-20/h2-11,14,16-18H,12-13,15H2,1H3
• InChIKey: GWLKBDGGPUGEBE-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.49
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine?

The IUPAC name of 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine (CID 170693276) is 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine.

What is the SMILES notation for 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine?

The canonical SMILES for 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine is CC(Cc1ccccc1)Cc1ncc(-c2ccccc2)nc1Cc1cc(F)cc(F)c1F.

What is the InChIKey of 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine?

The InChIKey is GWLKBDGGPUGEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2/c1-18(12-19-8-4-2-5-9-19)13-24-25(15-21-14-22(28)16-23(29)27(21)30)32-26(17-31-24)20-10-6-3-7-11-20/h2-11,14,16-18H,12-13,15H2,1H3.

What are the key properties of 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine?

2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine has a molecular weight of 432.49 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-3-phenylpropyl)-5-phenyl-3-[(2,3,5-trifluorophenyl)methyl]pyrazine is sourced from PubChem (CID 170693276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).