2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide

C31H25N9O2S2 — CID 18999891

IUPAC2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide
SMILESCC(=O)Nn1ncc2cc3ncc(-c4ccsc4)nc3cc21.COCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1
InChIInChI=1S/C16H14N4OS.C15H11N5OS/c1-21-4-3-20-9-12-6-14-15(7-13(12)19-20)18-16(8-17-14)11-2-5-22-10-11;1-9(21)19-20-15-5-13-12(4-11(15)6-17-20)16-7-14(18-13)10-2-3-22-8-10/h2,5-10H,3-4H2,1H3;2-8H,1H3,(H,19,21)
InChIKeyMYDMLPYIUMEABL-UHFFFAOYSA-N
MW619.74 g/mol
LogP6.15
Rot. Bonds6

About 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide

2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide (PubChem CID 18999891) has the molecular formula C31H25N9O2S2 and a molecular weight of 619.74 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide
PubChem CID18999891
Molecular FormulaC31H25N9O2S2
Molecular Weight619.74 g/mol
Exact Mass619.16
IUPAC Name2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide
SMILESCC(=O)Nn1ncc2cc3ncc(-c4ccsc4)nc3cc21.COCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1
InChIInChI=1S/C16H14N4OS.C15H11N5OS/c1-21-4-3-20-9-12-6-14-15(7-13(12)19-20)18-16(8-17-14)11-2-5-22-10-11;1-9(21)19-20-15-5-13-12(4-11(15)6-17-20)16-7-14(18-13)10-2-3-22-8-10/h2,5-10H,3-4H2,1H3;2-8H,1H3,(H,19,21)
InChIKeyMYDMLPYIUMEABL-UHFFFAOYSA-N
XLogP6.15
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500619.74
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide?
The IUPAC name of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide (CID 18999891) is 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide?
The canonical SMILES for 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide is CC(=O)Nn1ncc2cc3ncc(-c4ccsc4)nc3cc21.COCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1.
What is the InChIKey of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide?
The InChIKey is MYDMLPYIUMEABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS.C15H11N5OS/c1-21-4-3-20-9-12-6-14-15(7-13(12)19-20)18-16(8-17-14)11-2-5-22-10-11;1-9(21)19-20-15-5-13-12(4-11(15)6-17-20)16-7-14(18-13)10-2-3-22-8-10/h2,5-10H,3-4H2,1H3;2-8H,1H3,(H,19,21).
What are the key properties of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide?
2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide has a molecular weight of 619.74 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide is sourced from PubChem (CID 18999891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).