2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde

C16H15N3OS — CID 118035700

IUPAC2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde
SMILESCCc1c(S)cccc1-c1nc2cc(C=O)cnc2n1C
InChIInChI=1S/C16H15N3OS/c1-3-11-12(5-4-6-14(11)21)15-18-13-7-10(9-20)8-17-16(13)19(15)2/h4-9,21H,3H2,1-2H3
InChIKeyYVAGSEIHQKQJPV-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.30
Rot. Bonds3

About 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde

2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde (PubChem CID 118035700) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde
PubChem CID118035700
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde
SMILESCCc1c(S)cccc1-c1nc2cc(C=O)cnc2n1C
InChIInChI=1S/C16H15N3OS/c1-3-11-12(5-4-6-14(11)21)15-18-13-7-10(9-20)8-17-16(13)19(15)2/h4-9,21H,3H2,1-2H3
InChIKeyYVAGSEIHQKQJPV-UHFFFAOYSA-N
XLogP3.30
TPSA47.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde 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-ethyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-6-(trifluoromethyl)benzenethiol
CID 118035350
2-(2-ethylsulfanylphenyl)-6-isocyano-3-methylimidazo[4,5-b]pyridine
CID 123759581
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
CID 137468253
2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70735389
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715
2-(2,4-dimethylphenyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 129215296
2-(2-chlorophenyl)-N,3-dimethyl-N-propylimidazo[4,5-b]pyridine-6-carboxamide
CID 70725218
2-(2-chlorophenyl)-N-ethyl-3-methyl-N-propylimidazo[4,5-b]pyridine-6-carboxamide
CID 70769765
1-ethyl-5-ethylsulfanyl-3-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-one
CID 137380193
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056806
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde?
The IUPAC name of 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde (CID 118035700) is 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde is CCc1c(S)cccc1-c1nc2cc(C=O)cnc2n1C.
What is the InChIKey of 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde?
The InChIKey is YVAGSEIHQKQJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-3-11-12(5-4-6-14(11)21)15-18-13-7-10(9-20)8-17-16(13)19(15)2/h4-9,21H,3H2,1-2H3.
What are the key properties of 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde?
2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde has a molecular weight of 297.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-sulfanylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 118035700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).