2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole

C18H11BrClN3S — CID 166932773

IUPAC2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole
SMILESClc1c(Sc2cnc(Br)cn2)cccc1C1=Nc2ccccc2C1
InChIInChI=1S/C18H11BrClN3S/c19-16-9-22-17(10-21-16)24-15-7-3-5-12(18(15)20)14-8-11-4-1-2-6-13(11)23-14/h1-7,9-10H,8H2
InChIKeyZUDLMKHGFGUHBN-UHFFFAOYSA-N
MW416.73 g/mol
LogP5.72
Rot. Bonds3

About 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole

2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole (PubChem CID 166932773) has the molecular formula C18H11BrClN3S and a molecular weight of 416.73 g/mol. Its IUPAC name is 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole.

Molecular Properties

Compound Name2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole
PubChem CID166932773
Molecular FormulaC18H11BrClN3S
Molecular Weight416.73 g/mol
Exact Mass414.95
IUPAC Name2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole
SMILESClc1c(Sc2cnc(Br)cn2)cccc1C1=Nc2ccccc2C1
InChIInChI=1S/C18H11BrClN3S/c19-16-9-22-17(10-21-16)24-15-7-3-5-12(18(15)20)14-8-11-4-1-2-6-13(11)23-14/h1-7,9-10H,8H2
InChIKeyZUDLMKHGFGUHBN-UHFFFAOYSA-N
XLogP5.72
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole 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

2-bromo-5-[2-chloro-3-(1-ethylpyrazol-4-yl)phenyl]sulfanylpyrazine
CID 164745661
2-bromo-5-pyridin-2-ylsulfanylpyrazine
CID 130540741
CID 174027584
CID 174027584
4-chloro-2-(3H-indol-2-yl)phenol
CID 158565703
2-(1H-indol-3-yl)-3H-indole
CID 163416742
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile
CID 166932744
benzene;ethane;2-phenyl-3H-indole
CID 91573421
2-(2,5-dimethylphenyl)-3H-indole
CID 118351581
4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline
CID 141402166
2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-3H-indole
CID 70870233
2-(4-methyl-3H-pyridin-3-id-2-yl)-3H-indole;uranium
CID 163427014

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole?
The IUPAC name of 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole (CID 166932773) is 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole.
What is the SMILES notation for 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole?
The canonical SMILES for 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole is Clc1c(Sc2cnc(Br)cn2)cccc1C1=Nc2ccccc2C1.
What is the InChIKey of 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole?
The InChIKey is ZUDLMKHGFGUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClN3S/c19-16-9-22-17(10-21-16)24-15-7-3-5-12(18(15)20)14-8-11-4-1-2-6-13(11)23-14/h1-7,9-10H,8H2.
What are the key properties of 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole?
2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole has a molecular weight of 416.73 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromopyrazin-2-yl)sulfanyl-2-chlorophenyl]-3H-indole is sourced from PubChem (CID 166932773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).