2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C22H15F2N5O — CID 58447783

IUPAC2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H15F2N5O/c23-18-9-14(1-3-17(18)15-5-6-27-20(24)11-15)10-22(30)29-21-4-2-16(12-28-21)19-13-25-7-8-26-19/h1-9,11-13H,10H2,(H,28,29,30)
InChIKeyZYENDKYIOLJLEG-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.06
Rot. Bonds5

About 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 58447783) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID58447783
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H15F2N5O/c23-18-9-14(1-3-17(18)15-5-6-27-20(24)11-15)10-22(30)29-21-4-2-16(12-28-21)19-13-25-7-8-26-19/h1-9,11-13H,10H2,(H,28,29,30)
InChIKeyZYENDKYIOLJLEG-UHFFFAOYSA-N
XLogP4.06
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 58447783) is 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(Cc1ccc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is ZYENDKYIOLJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c23-18-9-14(1-3-17(18)15-5-6-27-20(24)11-15)10-22(30)29-21-4-2-16(12-28-21)19-13-25-7-8-26-19/h1-9,11-13H,10H2,(H,28,29,30).
What are the key properties of 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 403.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).