6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline

C31H17Cl2F3N8 — CID 70277576

IUPAC6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
SMILESClc1cc(Cl)cc(-c2cnc3cc4[nH]ncc4cc3n2)c1.FC(F)(F)c1cccc(-c2cnc3cc4cn[nH]c4cc3n2)c1
InChIInChI=1S/C16H9F3N4.C15H8Cl2N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-5-10-7-21-23-12(10)6-14(13)22-15;16-10-1-8(2-11(17)4-10)15-7-18-13-5-12-9(6-19-21-12)3-14(13)20-15/h1-8H,(H,21,23);1-7H,(H,19,21)
InChIKeyYNHSJQWMRWDGIE-UHFFFAOYSA-N
MW629.43 g/mol
LogP8.67
Rot. Bonds2

About 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline

6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline (PubChem CID 70277576) has the molecular formula C31H17Cl2F3N8 and a molecular weight of 629.43 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
PubChem CID70277576
Molecular FormulaC31H17Cl2F3N8
Molecular Weight629.43 g/mol
Exact Mass628.09
IUPAC Name6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
SMILESClc1cc(Cl)cc(-c2cnc3cc4[nH]ncc4cc3n2)c1.FC(F)(F)c1cccc(-c2cnc3cc4cn[nH]c4cc3n2)c1
InChIInChI=1S/C16H9F3N4.C15H8Cl2N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-5-10-7-21-23-12(10)6-14(13)22-15;16-10-1-8(2-11(17)4-10)15-7-18-13-5-12-9(6-19-21-12)3-14(13)20-15/h1-8H,(H,21,23);1-7H,(H,19,21)
InChIKeyYNHSJQWMRWDGIE-UHFFFAOYSA-N
XLogP8.67
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.43
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline 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 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
The IUPAC name of 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline (CID 70277576) is 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline is Clc1cc(Cl)cc(-c2cnc3cc4[nH]ncc4cc3n2)c1.FC(F)(F)c1cccc(-c2cnc3cc4cn[nH]c4cc3n2)c1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
The InChIKey is YNHSJQWMRWDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4.C15H8Cl2N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-5-10-7-21-23-12(10)6-14(13)22-15;16-10-1-8(2-11(17)4-10)15-7-18-13-5-12-9(6-19-21-12)3-14(13)20-15/h1-8H,(H,21,23);1-7H,(H,19,21).
What are the key properties of 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline has a molecular weight of 629.43 g/mol, XLogP of 8.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 70277576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).