3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C22H16ClN3S — CID 70170221

IUPAC3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1ccc2cc(-c3[nH]c4ncccc4c3Sc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H16ClN3S/c1-26-12-10-14-13-15(4-9-19(14)26)20-21(18-3-2-11-24-22(18)25-20)27-17-7-5-16(23)6-8-17/h2-13H,1H3,(H,24,25)
InChIKeyWQRIZDLNEHEPJQ-UHFFFAOYSA-N
MW389.91 g/mol
LogP6.53
Rot. Bonds3

About 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine

3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70170221) has the molecular formula C22H16ClN3S and a molecular weight of 389.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID70170221
Molecular FormulaC22H16ClN3S
Molecular Weight389.91 g/mol
Exact Mass389.08
IUPAC Name3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1ccc2cc(-c3[nH]c4ncccc4c3Sc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H16ClN3S/c1-26-12-10-14-13-15(4-9-19(14)26)20-21(18-3-2-11-24-22(18)25-20)27-17-7-5-16(23)6-8-17/h2-13H,1H3,(H,24,25)
InChIKeyWQRIZDLNEHEPJQ-UHFFFAOYSA-N
XLogP6.53
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.91
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine 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-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 70170221) is 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1ccc2cc(-c3[nH]c4ncccc4c3Sc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WQRIZDLNEHEPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3S/c1-26-12-10-14-13-15(4-9-19(14)26)20-21(18-3-2-11-24-22(18)25-20)27-17-7-5-16(23)6-8-17/h2-13H,1H3,(H,24,25).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 389.91 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70170221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).