2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline

C23H16F4N4 — CID 54675427

IUPAC2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESFc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H16F4N4/c24-18-10-15(9-17(11-18)23(25,26)27)21-22(29-8-7-28-21)16-12-31(13-16)20-6-5-14-3-1-2-4-19(14)30-20/h1-11,16H,12-13H2
InChIKeyMLMMODCHTFWPRO-UHFFFAOYSA-N
MW424.40 g/mol
LogP5.45
Rot. Bonds3

About 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 54675427) has the molecular formula C23H16F4N4 and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID54675427
Molecular FormulaC23H16F4N4
Molecular Weight424.40 g/mol
Exact Mass424.13
IUPAC Name2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESFc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H16F4N4/c24-18-10-15(9-17(11-18)23(25,26)27)21-22(29-8-7-28-21)16-12-31(13-16)20-6-5-14-3-1-2-4-19(14)30-20/h1-11,16H,12-13H2
InChIKeyMLMMODCHTFWPRO-UHFFFAOYSA-N
XLogP5.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline 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-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline (CID 54675427) is 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline is Fc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is MLMMODCHTFWPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4/c24-18-10-15(9-17(11-18)23(25,26)27)21-22(29-8-7-28-21)16-12-31(13-16)20-6-5-14-3-1-2-4-19(14)30-20/h1-11,16H,12-13H2.
What are the key properties of 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 424.40 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 54675427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).