6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline

C16H9F3N4 — CID 18999850

IUPAC6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline
SMILESFC(F)(F)c1cccc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C16H9F3N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-6-12-10(7-21-23-12)5-14(13)22-15/h1-8H,(H,21,23)
InChIKeyHKGAVSQJSJSQOV-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.19
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline

6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999850) has the molecular formula C16H9F3N4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999850
Molecular FormulaC16H9F3N4
Molecular Weight314.27 g/mol
Exact Mass314.08
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline
SMILESFC(F)(F)c1cccc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C16H9F3N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-6-12-10(7-21-23-12)5-14(13)22-15/h1-8H,(H,21,23)
InChIKeyHKGAVSQJSJSQOV-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-364947
CID 447966
Camizestrant
CID 134453496
6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
CID 134453448
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
US10131663, Example 29
CID 134453532
N-[1-(3-fluoropropyl)azetidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
CID 134453535
6-[(6S,8R)-7-(2,2-difluoroethyl)-6,8-dimethyl-8,9-dihydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 134453542

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline (CID 18999850) is 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline is FC(F)(F)c1cccc(-c2cnc3cc4[nH]ncc4cc3n2)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is HKGAVSQJSJSQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-6-12-10(7-21-23-12)5-14(13)22-15/h1-8H,(H,21,23).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline?
6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 314.27 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).