5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C15H19F5N4O2 — CID 90203304

IUPAC5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1
InChIInChI=1S/C15H19F5N4O2/c1-13(2,3)5-22-11(25)9-4-21-10(24-6-14(16,17)7-24)12(23-9)26-8-15(18,19)20/h4H,5-8H2,1-3H3,(H,22,25)
InChIKeyLMRZVYBTAPGHDK-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.65
Rot. Bonds5

About 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 90203304) has the molecular formula C15H19F5N4O2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID90203304
Molecular FormulaC15H19F5N4O2
Molecular Weight382.33 g/mol
Exact Mass382.14
IUPAC Name5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1
InChIInChI=1S/C15H19F5N4O2/c1-13(2,3)5-22-11(25)9-4-21-10(24-6-14(16,17)7-24)12(23-9)26-8-15(18,19)20/h4H,5-8H2,1-3H3,(H,22,25)
InChIKeyLMRZVYBTAPGHDK-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide 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 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 90203304) is 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is CC(C)(C)CNC(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1.
What is the InChIKey of 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is LMRZVYBTAPGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5N4O2/c1-13(2,3)5-22-11(25)9-4-21-10(24-6-14(16,17)7-24)12(23-9)26-8-15(18,19)20/h4H,5-8H2,1-3H3,(H,22,25).
What are the key properties of 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 382.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 90203304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).