6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline

C26H14Cl2N8S2 — CID 18999820

IUPAC6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESClc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)s1.Clc1ccc(-c2cnc3cc4cn[nH]c4cc3n2)s1
InChIInChI=1S/2C13H7ClN4S/c14-13-2-1-12(19-13)11-6-15-9-4-8-7(5-16-18-8)3-10(9)17-11;14-13-2-1-12(19-13)11-6-15-9-3-7-5-16-18-8(7)4-10(9)17-11/h2*1-6H,(H,16,18)
InChIKeyHXHNOOIQOIHJMP-UHFFFAOYSA-N
MW573.49 g/mol
LogP7.78
Rot. Bonds2

About 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline

6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline (PubChem CID 18999820) has the molecular formula C26H14Cl2N8S2 and a molecular weight of 573.49 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline
PubChem CID18999820
Molecular FormulaC26H14Cl2N8S2
Molecular Weight573.49 g/mol
Exact Mass572.02
IUPAC Name6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESClc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)s1.Clc1ccc(-c2cnc3cc4cn[nH]c4cc3n2)s1
InChIInChI=1S/2C13H7ClN4S/c14-13-2-1-12(19-13)11-6-15-9-4-8-7(5-16-18-8)3-10(9)17-11;14-13-2-1-12(19-13)11-6-15-9-3-7-5-16-18-8(7)4-10(9)17-11/h2*1-6H,(H,16,18)
InChIKeyHXHNOOIQOIHJMP-UHFFFAOYSA-N
XLogP7.78
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.49
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155533987
6-[2-[(3,6-dichloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155531322
6-[2-[(3-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155511776
6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 15814131
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-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline
CID 18999857
7-(5-Chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
CID 18999868
1-methyl-7-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999869

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline (CID 18999820) is 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline is Clc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)s1.Clc1ccc(-c2cnc3cc4cn[nH]c4cc3n2)s1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
The InChIKey is HXHNOOIQOIHJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H7ClN4S/c14-13-2-1-12(19-13)11-6-15-9-4-8-7(5-16-18-8)3-10(9)17-11;14-13-2-1-12(19-13)11-6-15-9-3-7-5-16-18-8(7)4-10(9)17-11/h2*1-6H,(H,16,18).
What are the key properties of 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline has a molecular weight of 573.49 g/mol, XLogP of 7.78, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).