2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C24H26F3N5O3 — CID 53326293

IUPAC2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(OCC(F)(F)F)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1
InChIInChI=1S/C24H26F3N5O3/c1-16-6-7-20(35-15-24(25,26)27)18(11-16)13-30-21(33)14-32-17(2)12-31-22(23(32)34)29-10-8-19-5-3-4-9-28-19/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,29,31)(H,30,33)
InChIKeyBFPAQBUQTXJEIL-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.17
Rot. Bonds10

About 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 53326293) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID53326293
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(OCC(F)(F)F)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1
InChIInChI=1S/C24H26F3N5O3/c1-16-6-7-20(35-15-24(25,26)27)18(11-16)13-30-21(33)14-32-17(2)12-31-22(23(32)34)29-10-8-19-5-3-4-9-28-19/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,29,31)(H,30,33)
InChIKeyBFPAQBUQTXJEIL-UHFFFAOYSA-N
XLogP3.17
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 53326293) is 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is Cc1ccc(OCC(F)(F)F)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1.
What is the InChIKey of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is BFPAQBUQTXJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-16-6-7-20(35-15-24(25,26)27)18(11-16)13-30-21(33)14-32-17(2)12-31-22(23(32)34)29-10-8-19-5-3-4-9-28-19/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,29,31)(H,30,33).
What are the key properties of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 489.50 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 53326293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).