1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone

C15H9ClN4OS — CID 139766732

IUPAC1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone
SMILESCC(=O)n1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1
InChIInChI=1S/C15H9ClN4OS/c1-8(21)20-7-9-4-11-12(5-10(9)19-20)18-13(6-17-11)14-2-3-15(16)22-14/h2-7H,1H3
InChIKeyJZYXPGNVBXZJLY-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.02
Rot. Bonds1

About 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone

1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone (PubChem CID 139766732) has the molecular formula C15H9ClN4OS and a molecular weight of 328.78 g/mol. Its IUPAC name is 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone
PubChem CID139766732
Molecular FormulaC15H9ClN4OS
Molecular Weight328.78 g/mol
Exact Mass328.02
IUPAC Name1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone
SMILESCC(=O)n1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1
InChIInChI=1S/C15H9ClN4OS/c1-8(21)20-7-9-4-11-12(5-10(9)19-20)18-13(6-17-11)14-2-3-15(16)22-14/h2-7H,1H3
InChIKeyJZYXPGNVBXZJLY-UHFFFAOYSA-N
XLogP4.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone?
The IUPAC name of 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone (CID 139766732) is 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone.
What is the SMILES notation for 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone?
The canonical SMILES for 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone is CC(=O)n1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.
What is the InChIKey of 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone?
The InChIKey is JZYXPGNVBXZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4OS/c1-8(21)20-7-9-4-11-12(5-10(9)19-20)18-13(6-17-11)14-2-3-15(16)22-14/h2-7H,1H3.
What are the key properties of 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone?
1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone has a molecular weight of 328.78 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone is sourced from PubChem (CID 139766732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).