2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine

C21H18ClN3O3S — CID 57179516

IUPAC2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncccc3[nH]2)c(OCCS(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H18ClN3O3S/c1-27-15-7-8-17(20-24-18-6-3-9-23-21(18)25-20)19(13-15)28-10-11-29(26)16-5-2-4-14(22)12-16/h2-9,12-13H,10-11H2,1H3,(H,23,24,25)
InChIKeyCPTDYKASCQBMQU-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.47
Rot. Bonds7

About 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine

2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 57179516) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID57179516
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncccc3[nH]2)c(OCCS(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H18ClN3O3S/c1-27-15-7-8-17(20-24-18-6-3-9-23-21(18)25-20)19(13-15)28-10-11-29(26)16-5-2-4-14(22)12-16/h2-9,12-13H,10-11H2,1H3,(H,23,24,25)
InChIKeyCPTDYKASCQBMQU-UHFFFAOYSA-N
XLogP4.47
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-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 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine (CID 57179516) is 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncccc3[nH]2)c(OCCS(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CPTDYKASCQBMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-27-15-7-8-17(20-24-18-6-3-9-23-21(18)25-20)19(13-15)28-10-11-29(26)16-5-2-4-14(22)12-16/h2-9,12-13H,10-11H2,1H3,(H,23,24,25).
What are the key properties of 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine?
2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 427.91 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-chlorophenyl)sulfinylethoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 57179516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).