3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde

C15H13N3O3 — CID 11536497

IUPAC3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde
SMILESCOc1cc(OC)cc(-n2cnc3ccc(C=O)nc32)c1
InChIInChI=1S/C15H13N3O3/c1-20-12-5-11(6-13(7-12)21-2)18-9-16-14-4-3-10(8-19)17-15(14)18/h3-9H,1-2H3
InChIKeyGRSCFKHCLLTKOT-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.25
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde

3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde (PubChem CID 11536497) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde
PubChem CID11536497
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde
SMILESCOc1cc(OC)cc(-n2cnc3ccc(C=O)nc32)c1
InChIInChI=1S/C15H13N3O3/c1-20-12-5-11(6-13(7-12)21-2)18-9-16-14-4-3-10(8-19)17-15(14)18/h3-9H,1-2H3
InChIKeyGRSCFKHCLLTKOT-UHFFFAOYSA-N
XLogP2.25
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde?
The IUPAC name of 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde (CID 11536497) is 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde is COc1cc(OC)cc(-n2cnc3ccc(C=O)nc32)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde?
The InChIKey is GRSCFKHCLLTKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-12-5-11(6-13(7-12)21-2)18-9-16-14-4-3-10(8-19)17-15(14)18/h3-9H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde?
3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde has a molecular weight of 283.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)imidazo[4,5-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 11536497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).