5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine

C18H15N3O2S2 — CID 167554192

IUPAC5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(ncn3Cc3cccs3)n2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-25(22,23)15-6-4-13(5-7-15)16-8-9-17-18(20-16)19-12-21(17)11-14-3-2-10-24-14/h2-10,12H,11H2,1H3
InChIKeyAHRKOQRDWRZUSH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.61
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine

5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 167554192) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID167554192
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(ncn3Cc3cccs3)n2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-25(22,23)15-6-4-13(5-7-15)16-8-9-17-18(20-16)19-12-21(17)11-14-3-2-10-24-14/h2-10,12H,11H2,1H3
InChIKeyAHRKOQRDWRZUSH-UHFFFAOYSA-N
XLogP3.61
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine
CID 167554189
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 167581803
4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 167018958
3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine
CID 167635192
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
1-[(4-chlorophenyl)methyl]-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine
CID 11646937
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
1-ethyl-2-[(4-methylsulfonylphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257645
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine (CID 167554192) is 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine is CS(=O)(=O)c1ccc(-c2ccc3c(ncn3Cc3cccs3)n2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is AHRKOQRDWRZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-25(22,23)15-6-4-13(5-7-15)16-8-9-17-18(20-16)19-12-21(17)11-14-3-2-10-24-14/h2-10,12H,11H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 369.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 167554192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).