4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

C23H17F3N6O — CID 66601703

IUPAC4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESN#Cc1ccc2c(c1)nc(NCC(F)(F)F)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12
InChIInChI=1S/C23H17F3N6O/c24-23(25,26)12-29-20-21-28-11-19(32(21)18-8-1-13(10-27)9-17(18)31-20)14-2-4-15(5-3-14)22(33)30-16-6-7-16/h1-5,8-9,11,16H,6-7,12H2,(H,29,31)(H,30,33)
InChIKeyREGAPUYIRQCZRS-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.29
Rot. Bonds5

About 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (PubChem CID 66601703) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
PubChem CID66601703
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC Name4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESN#Cc1ccc2c(c1)nc(NCC(F)(F)F)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12
InChIInChI=1S/C23H17F3N6O/c24-23(25,26)12-29-20-21-28-11-19(32(21)18-8-1-13(10-27)9-17(18)31-20)14-2-4-15(5-3-14)22(33)30-16-6-7-16/h1-5,8-9,11,16H,6-7,12H2,(H,29,31)(H,30,33)
InChIKeyREGAPUYIRQCZRS-UHFFFAOYSA-N
XLogP4.29
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide with MolForge

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Related Compounds

4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 160849745
N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
tert-butyl N-[3-[[1-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-7-cyanoimidazo[1,2-a]quinoxalin-4-yl]amino]propyl]carbamate
CID 70331651
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298
4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 89013593
N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601296
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68761182
4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013596
N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 159997775
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
4-[7-amino-4-[[(2R)-2,3-dihydroxypropyl]amino]imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013449
4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 66614359

Frequently Asked Questions

What is the IUPAC name of 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (CID 66601703) is 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is N#Cc1ccc2c(c1)nc(NCC(F)(F)F)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12.
What is the InChIKey of 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The InChIKey is REGAPUYIRQCZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c24-23(25,26)12-29-20-21-28-11-19(32(21)18-8-1-13(10-27)9-17(18)31-20)14-2-4-15(5-3-14)22(33)30-16-6-7-16/h1-5,8-9,11,16H,6-7,12H2,(H,29,31)(H,30,33).
What are the key properties of 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide has a molecular weight of 450.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 66601703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).