5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one

C17H15F3N6O2 — CID 25120879

IUPAC5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)[nH][nH]1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)9-2-3-12-10(6-9)23-15(21-4-1-5-27)16-22-8-13(26(12)16)11-7-14(28)25-24-11/h2-3,6-8,27H,1,4-5H2,(H,21,23)(H2,24,25,28)
InChIKeyIVTPMAKFUQWVIU-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.38
Rot. Bonds5

About 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one

5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one (PubChem CID 25120879) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one
PubChem CID25120879
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)[nH][nH]1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)9-2-3-12-10(6-9)23-15(21-4-1-5-27)16-22-8-13(26(12)16)11-7-14(28)25-24-11/h2-3,6-8,27H,1,4-5H2,(H,21,23)(H2,24,25,28)
InChIKeyIVTPMAKFUQWVIU-UHFFFAOYSA-N
XLogP2.38
TPSA111.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one with MolForge

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Related Compounds

CID 89240854
CID 89240854
3-[[1-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 25070424
3-[[1-ethynyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 59333283
morpholine;3-[[1-phenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 68723770
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
1,2-diphenylethyl 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propyl hydrogen phosphate
CID 68665437
3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 159676233
4-[4-(3-aminopropylamino)-8-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
CID 137051939
[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141071245
N-propyl-7-(trifluoromethyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]imidazo[1,2-a]quinoxalin-4-amine
CID 123561008
2,2-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]propan-1-one
CID 70891319
1-oxo-4-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylic acid
CID 18449147

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one (CID 25120879) is 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one is O=c1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)[nH][nH]1.
What is the InChIKey of 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is IVTPMAKFUQWVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-17(19,20)9-2-3-12-10(6-9)23-15(21-4-1-5-27)16-22-8-13(26(12)16)11-7-14(28)25-24-11/h2-3,6-8,27H,1,4-5H2,(H,21,23)(H2,24,25,28).
What are the key properties of 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 392.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 25120879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).