1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline

C14H10N4S — CID 18999862

IUPAC1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
SMILESCn1ncc2cc3ncc(-c4ccsc4)nc3cc21
InChIInChI=1S/C14H10N4S/c1-18-14-5-12-11(4-10(14)6-16-18)15-7-13(17-12)9-2-3-19-8-9/h2-8H,1H3
InChIKeyXLXHELZWKBISOM-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.24
Rot. Bonds1

About 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline

1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (PubChem CID 18999862) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
PubChem CID18999862
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
SMILESCn1ncc2cc3ncc(-c4ccsc4)nc3cc21
InChIInChI=1S/C14H10N4S/c1-18-14-5-12-11(4-10(14)6-16-18)15-7-13(17-12)9-2-3-19-8-9/h2-8H,1H3
InChIKeyXLXHELZWKBISOM-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10377753, Example 130
CID 124175977
4-(1-Thiophen-2-ylpyrazol-4-yl)quinoline
CID 70681380
2-Phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145985931
4-Methyl-2-phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145986186
6-(4-Thiophen-2-yltriazol-1-yl)isoquinoline
CID 162647891
1-(1-Benzothiophen-5-yl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea
CID 164612837
6-(4-Methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
CID 155389064
6-(5-Methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
CID 155389311
1-[(5-Methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine
CID 155399968
4-((4-Methylbenzyl)thio)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazine
CID 27373086
2,3-Bis(thiophen-2-yl)pyrazine[2,3-f][1,10]phenanthroline
CID 21304148
4,9-Di(thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 67384162

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The IUPAC name of 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (CID 18999862) is 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is Cn1ncc2cc3ncc(-c4ccsc4)nc3cc21.
What is the InChIKey of 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The InChIKey is XLXHELZWKBISOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-18-14-5-12-11(4-10(14)6-16-18)15-7-13(17-12)9-2-3-19-8-9/h2-8H,1H3.
What are the key properties of 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline has a molecular weight of 266.33 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).