1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone

C17H12N4OS2 — CID 170459384

IUPAC1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3cnccn3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C17H12N4OS2/c1-9(22)16-15(18)14-10(13-3-2-6-23-13)7-11(21-17(14)24-16)12-8-19-4-5-20-12/h2-8H,18H2,1H3
InChIKeyHHLHXXMAPUBYAG-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone

1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone (PubChem CID 170459384) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone
PubChem CID170459384
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC Name1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3cnccn3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C17H12N4OS2/c1-9(22)16-15(18)14-10(13-3-2-6-23-13)7-11(21-17(14)24-16)12-8-19-4-5-20-12/h2-8H,18H2,1H3
InChIKeyHHLHXXMAPUBYAG-UHFFFAOYSA-N
XLogP4.27
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone with MolForge

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Related Compounds

3-amino-6-cyclopropyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 741687
2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 168859889
1-adamantyl-(3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 3755990
3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1247368
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone
CID 11988170
1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
ethane;propane;2-thiophen-2-ylpyrazine
CID 142831454
2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 170459399
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23859670
3-amino-N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 2067224
2-methyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidine
CID 95857470

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone?
The IUPAC name of 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone (CID 170459384) is 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone is CC(=O)c1sc2nc(-c3cnccn3)cc(-c3cccs3)c2c1N.
What is the InChIKey of 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone?
The InChIKey is HHLHXXMAPUBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c1-9(22)16-15(18)14-10(13-3-2-6-23-13)7-11(21-17(14)24-16)12-8-19-4-5-20-12/h2-8H,18H2,1H3.
What are the key properties of 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone?
1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone has a molecular weight of 352.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 170459384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).