N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine

C23H29F3N6OSi — CID 123561008

IUPACN-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine
SMILESCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccnn3COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C23H29F3N6OSi/c1-5-9-27-21-22-28-14-20(19-8-10-29-31(19)15-33-11-12-34(2,3)4)32(22)18-7-6-16(23(24,25)26)13-17(18)30-21/h6-8,10,13-14H,5,9,11-12,15H2,1-4H3,(H,27,30)
InChIKeyMGXLXFJDSGTTKA-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.90
Rot. Bonds9

About N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine

N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine (PubChem CID 123561008) has the molecular formula C23H29F3N6OSi and a molecular weight of 490.61 g/mol. Its IUPAC name is N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine
PubChem CID123561008
Molecular FormulaC23H29F3N6OSi
Molecular Weight490.61 g/mol
Exact Mass490.21
IUPAC NameN-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine
SMILESCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccnn3COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C23H29F3N6OSi/c1-5-9-27-21-22-28-14-20(19-8-10-29-31(19)15-33-11-12-34(2,3)4)32(22)18-7-6-16(23(24,25)26)13-17(18)30-21/h6-8,10,13-14H,5,9,11-12,15H2,1-4H3,(H,27,30)
InChIKeyMGXLXFJDSGTTKA-UHFFFAOYSA-N
XLogP5.90
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 59333360
CID 89240854
CID 89240854
3-[[1-ethynyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 59333283
5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one
CID 25120879
1,2-diphenylethyl 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propyl hydrogen phosphate
CID 68665437
morpholine;3-[[1-phenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 68723770
3-[[1-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 25070424
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
CID 86705759
[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141071245
2,2-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]propan-1-one
CID 70891319
4-[4-(3-aminopropylamino)-8-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
CID 137051939
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437

Frequently Asked Questions

What is the IUPAC name of N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine (CID 123561008) is N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine is CCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccnn3COCC[Si](C)(C)C)cnc12.
What is the InChIKey of N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is MGXLXFJDSGTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6OSi/c1-5-9-27-21-22-28-14-20(19-8-10-29-31(19)15-33-11-12-34(2,3)4)32(22)18-7-6-16(23(24,25)26)13-17(18)30-21/h6-8,10,13-14H,5,9,11-12,15H2,1-4H3,(H,27,30).
What are the key properties of N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine?
N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 490.61 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 123561008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).