(7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile

C26H17N3S3 — CID 5291677

IUPAC(7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC/C3=C\c2cccs2)cc1
InChIInChI=1S/C26H17N3S3/c27-14-17-5-7-18(8-6-17)16-32-26-22(15-28)24(23-4-2-12-31-23)21-10-9-19(25(21)29-26)13-20-3-1-11-30-20/h1-8,11-13H,9-10,16H2/b19-13+
InChIKeyYOPGEWHVGRJXTE-CPNJWEJPSA-N
MW467.64 g/mol
LogP7.39
Rot. Bonds5

About (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile

(7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile (PubChem CID 5291677) has the molecular formula C26H17N3S3 and a molecular weight of 467.64 g/mol. Its IUPAC name is (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
PubChem CID5291677
Molecular FormulaC26H17N3S3
Molecular Weight467.64 g/mol
Exact Mass467.06
IUPAC Name(7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC/C3=C\c2cccs2)cc1
InChIInChI=1S/C26H17N3S3/c27-14-17-5-7-18(8-6-17)16-32-26-22(15-28)24(23-4-2-12-31-23)21-10-9-19(25(21)29-26)13-20-3-1-11-30-20/h1-8,11-13H,9-10,16H2/b19-13+
InChIKeyYOPGEWHVGRJXTE-CPNJWEJPSA-N
XLogP7.39
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-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

Frequently Asked Questions

What is the IUPAC name of (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile (CID 5291677) is (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is N#Cc1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC/C3=C\c2cccs2)cc1.
What is the InChIKey of (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is YOPGEWHVGRJXTE-CPNJWEJPSA-N. The full InChI is InChI=1S/C26H17N3S3/c27-14-17-5-7-18(8-6-17)16-32-26-22(15-28)24(23-4-2-12-31-23)21-10-9-19(25(21)29-26)13-20-3-1-11-30-20/h1-8,11-13H,9-10,16H2/b19-13+.
What are the key properties of (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
(7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 467.64 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 5291677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).