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

C23H23ClF3N5O3 — CID 53319728

IUPACN-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C23H23ClF3N5O3/c1-15-11-31-21(29-9-7-18-4-2-3-8-28-18)22(34)32(15)13-20(33)30-12-16-10-17(24)5-6-19(16)35-14-23(25,26)27/h2-6,8,10-11H,7,9,12-14H2,1H3,(H,29,31)(H,30,33)
InChIKeyRXMXTBQDOYSCNX-UHFFFAOYSA-N
MW509.92 g/mol
LogP3.51
Rot. Bonds10

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

N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 53319728) has the molecular formula C23H23ClF3N5O3 and a molecular weight of 509.92 g/mol. Its IUPAC name is N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID53319728
Molecular FormulaC23H23ClF3N5O3
Molecular Weight509.92 g/mol
Exact Mass509.14
IUPAC NameN-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C23H23ClF3N5O3/c1-15-11-31-21(29-9-7-18-4-2-3-8-28-18)22(34)32(15)13-20(33)30-12-16-10-17(24)5-6-19(16)35-14-23(25,26)27/h2-6,8,10-11H,7,9,12-14H2,1H3,(H,29,31)(H,30,33)
InChIKeyRXMXTBQDOYSCNX-UHFFFAOYSA-N
XLogP3.51
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.92
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]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 N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 53319728) is N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is RXMXTBQDOYSCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O3/c1-15-11-31-21(29-9-7-18-4-2-3-8-28-18)22(34)32(15)13-20(33)30-12-16-10-17(24)5-6-19(16)35-14-23(25,26)27/h2-6,8,10-11H,7,9,12-14H2,1H3,(H,29,31)(H,30,33).
What are the key properties of N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 509.92 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 53319728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).