3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile

C17H13N3O2 — CID 82060867

IUPAC3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1ccc(-c2nc3ccc(C#N)c(C)n3c2C=O)cc1
InChIInChI=1S/C17H13N3O2/c1-11-13(9-18)5-8-16-19-17(15(10-21)20(11)16)12-3-6-14(22-2)7-4-12/h3-8,10H,1-2H3
InChIKeyZYAOFBOFEITJPJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.00
Rot. Bonds3

About 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile

3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 82060867) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID82060867
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1ccc(-c2nc3ccc(C#N)c(C)n3c2C=O)cc1
InChIInChI=1S/C17H13N3O2/c1-11-13(9-18)5-8-16-19-17(15(10-21)20(11)16)12-3-6-14(22-2)7-4-12/h3-8,10H,1-2H3
InChIKeyZYAOFBOFEITJPJ-UHFFFAOYSA-N
XLogP3.00
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyphenyl)-3-formyl-5-methylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060873
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82342872
4-bromo-5-(4-methoxyphenyl)-2-methylpyrazole-3-carbaldehyde
CID 88860665
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5258067
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
2,3-dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878469
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
propan-2-yl 5-formyl-3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036120
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
3-tert-butyl-5-(4-methoxyphenyl)pyrrolo[2,3-c]isoquinoline-1-carbonitrile
CID 122380227
3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 51348534

Frequently Asked Questions

What is the IUPAC name of 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile (CID 82060867) is 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile is COc1ccc(-c2nc3ccc(C#N)c(C)n3c2C=O)cc1.
What is the InChIKey of 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is ZYAOFBOFEITJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-11-13(9-18)5-8-16-19-17(15(10-21)20(11)16)12-3-6-14(22-2)7-4-12/h3-8,10H,1-2H3.
What are the key properties of 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile?
3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 82060867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).