N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide

C26H26F2N4O2 — CID 129454240

About N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide

N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 129454240) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
• PubChem CID: 129454240
• Molecular Formula: C26H26F2N4O2
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
• SMILES: CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1
• InChI: InChI=1S/C26H26F2N4O2/c1-18(33)31-26(28,15-19-7-3-2-4-8-19)25(34)32-12-6-11-24(32)23-17-29-16-22(30-23)14-20-9-5-10-21(27)13-20/h2-5,7-10,13,16-17,24H,6,11-12,14-15H2,1H3,(H,31,33)/t24-,26+/m1/s1
• InChIKey: DESJIKSHNSPKMW-RSXGOPAZSA-N
• XLogP: 3.91
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?

The IUPAC name of N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide (CID 129454240) is N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide.

What is the SMILES notation for N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?

The canonical SMILES for N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide is CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1.

What is the InChIKey of N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?

The InChIKey is DESJIKSHNSPKMW-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-18(33)31-26(28,15-19-7-3-2-4-8-19)25(34)32-12-6-11-24(32)23-17-29-16-22(30-23)14-20-9-5-10-21(27)13-20/h2-5,7-10,13,16-17,24H,6,11-12,14-15H2,1H3,(H,31,33)/t24-,26+/m1/s1.

What are the key properties of N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?

N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 464.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 129454240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).