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'}

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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).