4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide

C20H17F2N3O2 — CID 59304341

IUPAC4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nccn(-c3ccc(F)cc3)c2=O)cc1F
InChIInChI=1S/C20H17F2N3O2/c1-12(2)16-8-5-14(11-17(16)22)24-19(26)18-20(27)25(10-9-23-18)15-6-3-13(21)4-7-15/h3-12H,1-2H3,(H,24,26)
InChIKeyYRKHAVLCAHYSGY-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.89
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide

4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide (PubChem CID 59304341) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide
PubChem CID59304341
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nccn(-c3ccc(F)cc3)c2=O)cc1F
InChIInChI=1S/C20H17F2N3O2/c1-12(2)16-8-5-14(11-17(16)22)24-19(26)18-20(27)25(10-9-23-18)15-6-3-13(21)4-7-15/h3-12H,1-2H3,(H,24,26)
InChIKeyYRKHAVLCAHYSGY-UHFFFAOYSA-N
XLogP3.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide (CID 59304341) is 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide is CC(C)c1ccc(NC(=O)c2nccn(-c3ccc(F)cc3)c2=O)cc1F.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
The InChIKey is YRKHAVLCAHYSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12(2)16-8-5-14(11-17(16)22)24-19(26)18-20(27)25(10-9-23-18)15-6-3-13(21)4-7-15/h3-12H,1-2H3,(H,24,26).
What are the key properties of 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 59304341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).