5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile

C19H17N3S2 — CID 162657318

IUPAC5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile
SMILESC=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C#N)cn2C
InChIInChI=1S/C19H17N3S2/c1-12(14-8-18(23-3)21-19(9-14)24-4)13-5-6-17-16(7-13)15(10-20)11-22(17)2/h5-9,11H,1H2,2-4H3
InChIKeyJLTRONHPEGIDHB-UHFFFAOYSA-N
MW351.50 g/mol
LogP4.95
Rot. Bonds4

About 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile

5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile (PubChem CID 162657318) has the molecular formula C19H17N3S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile
PubChem CID162657318
Molecular FormulaC19H17N3S2
Molecular Weight351.50 g/mol
Exact Mass351.09
IUPAC Name5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile
SMILESC=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C#N)cn2C
InChIInChI=1S/C19H17N3S2/c1-12(14-8-18(23-3)21-19(9-14)24-4)13-5-6-17-16(7-13)15(10-20)11-22(17)2/h5-9,11H,1H2,2-4H3
InChIKeyJLTRONHPEGIDHB-UHFFFAOYSA-N
XLogP4.95
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-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 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile?
The IUPAC name of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile (CID 162657318) is 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile.
What is the SMILES notation for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile?
The canonical SMILES for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile is C=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C#N)cn2C.
What is the InChIKey of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile?
The InChIKey is JLTRONHPEGIDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S2/c1-12(14-8-18(23-3)21-19(9-14)24-4)13-5-6-17-16(7-13)15(10-20)11-22(17)2/h5-9,11H,1H2,2-4H3.
What are the key properties of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile?
5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile has a molecular weight of 351.50 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile is sourced from PubChem (CID 162657318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).