3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole

C22H16N2S2 — CID 2322112

IUPAC3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole
SMILESCn1cc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c2ccccc21
InChIInChI=1S/C22H16N2S2/c1-24-14-17(16-6-2-3-7-20(16)24)15-12-18(21-8-4-10-25-21)23-19(13-15)22-9-5-11-26-22/h2-14H,1H3
InChIKeyANFMZQPDSCLFGY-UHFFFAOYSA-N
MW372.52 g/mol
LogP6.70
Rot. Bonds3

About 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole

3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole (PubChem CID 2322112) has the molecular formula C22H16N2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole.

Molecular Properties

Compound Name3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole
PubChem CID2322112
Molecular FormulaC22H16N2S2
Molecular Weight372.52 g/mol
Exact Mass372.08
IUPAC Name3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole
SMILESCn1cc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c2ccccc21
InChIInChI=1S/C22H16N2S2/c1-24-14-17(16-6-2-3-7-20(16)24)15-12-18(21-8-4-10-25-21)23-19(13-15)22-9-5-11-26-22/h2-14H,1H3
InChIKeyANFMZQPDSCLFGY-UHFFFAOYSA-N
XLogP6.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole 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 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole?
The IUPAC name of 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole (CID 2322112) is 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole.
What is the SMILES notation for 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole?
The canonical SMILES for 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole is Cn1cc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c2ccccc21.
What is the InChIKey of 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole?
The InChIKey is ANFMZQPDSCLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S2/c1-24-14-17(16-6-2-3-7-20(16)24)15-12-18(21-8-4-10-25-21)23-19(13-15)22-9-5-11-26-22/h2-14H,1H3.
What are the key properties of 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole?
3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole has a molecular weight of 372.52 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole is sourced from PubChem (CID 2322112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).