2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile

C17H12N4OS2 — CID 168859889

IUPAC2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCC(=O)CSc1nc(-c2cnccn2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C17H12N4OS2/c1-11(22)10-24-17-13(8-18)12(16-3-2-6-23-16)7-14(21-17)15-9-19-4-5-20-15/h2-7,9H,10H2,1H3
InChIKeyWFKGSMKZUOKOED-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile

2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 168859889) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID168859889
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC Name2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCC(=O)CSc1nc(-c2cnccn2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C17H12N4OS2/c1-11(22)10-24-17-13(8-18)12(16-3-2-6-23-16)7-14(21-17)15-9-19-4-5-20-15/h2-7,9H,10H2,1H3
InChIKeyWFKGSMKZUOKOED-UHFFFAOYSA-N
XLogP3.82
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 169491165
2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 170459399
ethyl 2-[[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 23249049
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 1010503
2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
CID 627201
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-cyclopentylacetamide
CID 1004504
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
1-(3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)ethanone
CID 170459384
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 5120735
ethane;propane;2-thiophen-2-ylpyrazine
CID 142831454

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 168859889) is 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile is CC(=O)CSc1nc(-c2cnccn2)cc(-c2cccs2)c1C#N.
What is the InChIKey of 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is WFKGSMKZUOKOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c1-11(22)10-24-17-13(8-18)12(16-3-2-6-23-16)7-14(21-17)15-9-19-4-5-20-15/h2-7,9H,10H2,1H3.
What are the key properties of 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 168859889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).