6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline

C13H7ClN4S — CID 15814131

IUPAC6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESClc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)s1
InChIInChI=1S/C13H7ClN4S/c14-13-2-1-12(19-13)11-6-15-9-4-8-7(5-16-18-8)3-10(9)17-11/h1-6H,(H,16,18)
InChIKeyAMAXHXOMMOSJDB-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.89
Rot. Bonds1

About 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline

6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 15814131) has the molecular formula C13H7ClN4S and a molecular weight of 286.75 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID15814131
Molecular FormulaC13H7ClN4S
Molecular Weight286.75 g/mol
Exact Mass286.01
IUPAC Name6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESClc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)s1
InChIInChI=1S/C13H7ClN4S/c14-13-2-1-12(19-13)11-6-15-9-4-8-7(5-16-18-8)3-10(9)17-11/h1-6H,(H,16,18)
InChIKeyAMAXHXOMMOSJDB-UHFFFAOYSA-N
XLogP3.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
CID 118711124
1h-Pyrazolo[3,4-g]quinoxaline
CID 18999829
7-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 15814132
6-thienyl-1H-pyrazolo[3,4-g]quinoxaline
CID 18999799
7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline
CID 18999803
7-(5-Chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
CID 18999804
7-thienyl-1H-pyrazolo[3,4-g]quinoxaline
CID 18999807
6-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline 7-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999820
1-(7-Thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol
CID 18999837
N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)acetamide
CID 18999840
6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999849
6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999853

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline (CID 15814131) is 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline is Clc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)s1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is AMAXHXOMMOSJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4S/c14-13-2-1-12(19-13)11-6-15-9-4-8-7(5-16-18-8)3-10(9)17-11/h1-6H,(H,16,18).
What are the key properties of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline?
6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 286.75 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 15814131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).