2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol

C15H12N4OS — CID 56988697

IUPAC2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol
SMILESOCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1
InChIInChI=1S/C15H12N4OS/c20-3-2-19-8-11-5-13-14(6-12(11)18-19)17-15(7-16-13)10-1-4-21-9-10/h1,4-9,20H,2-3H2
InChIKeyAZYLGGJWICEZTJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.70
Rot. Bonds3

About 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol

2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol (PubChem CID 56988697) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol.

Molecular Properties

Compound Name2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol
PubChem CID56988697
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol
SMILESOCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1
InChIInChI=1S/C15H12N4OS/c20-3-2-19-8-11-5-13-14(6-12(11)18-19)17-15(7-16-13)10-1-4-21-9-10/h1,4-9,20H,2-3H2
InChIKeyAZYLGGJWICEZTJ-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol?
The IUPAC name of 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol (CID 56988697) is 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol.
What is the SMILES notation for 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol?
The canonical SMILES for 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol is OCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1.
What is the InChIKey of 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol?
The InChIKey is AZYLGGJWICEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-3-2-19-8-11-5-13-14(6-12(11)18-19)17-15(7-16-13)10-1-4-21-9-10/h1,4-9,20H,2-3H2.
What are the key properties of 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol?
2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol has a molecular weight of 296.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol is sourced from PubChem (CID 56988697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).