1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole

C24H19FN2S — CID 138663116

IUPAC1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole
SMILESCCn1c(C)c(-c2csc3cc(-c4ccncc4)ccc23)c2cc(F)ccc21
InChIInChI=1S/C24H19FN2S/c1-3-27-15(2)24(20-13-18(25)5-7-22(20)27)21-14-28-23-12-17(4-6-19(21)23)16-8-10-26-11-9-16/h4-14H,3H2,1-2H3
InChIKeyYKSBDAVATMFICH-UHFFFAOYSA-N
MW386.50 g/mol
LogP7.05
Rot. Bonds3

About 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole

1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole (PubChem CID 138663116) has the molecular formula C24H19FN2S and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole
PubChem CID138663116
Molecular FormulaC24H19FN2S
Molecular Weight386.50 g/mol
Exact Mass386.13
IUPAC Name1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole
SMILESCCn1c(C)c(-c2csc3cc(-c4ccncc4)ccc23)c2cc(F)ccc21
InChIInChI=1S/C24H19FN2S/c1-3-27-15(2)24(20-13-18(25)5-7-22(20)27)21-14-28-23-12-17(4-6-19(21)23)16-8-10-26-11-9-16/h4-14H,3H2,1-2H3
InChIKeyYKSBDAVATMFICH-UHFFFAOYSA-N
XLogP7.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole 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 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole?
The IUPAC name of 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole (CID 138663116) is 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole?
The canonical SMILES for 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole is CCn1c(C)c(-c2csc3cc(-c4ccncc4)ccc23)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole?
The InChIKey is YKSBDAVATMFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2S/c1-3-27-15(2)24(20-13-18(25)5-7-22(20)27)21-14-28-23-12-17(4-6-19(21)23)16-8-10-26-11-9-16/h4-14H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole?
1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole has a molecular weight of 386.50 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-methyl-3-(6-pyridin-4-yl-1-benzothiophen-3-yl)indole is sourced from PubChem (CID 138663116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).