2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C17H16N2O3 — CID 2758451

IUPAC2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2nc3c(C)cccn3c2C=O)cc1OC
InChIInChI=1S/C17H16N2O3/c1-11-5-4-8-19-13(10-20)16(18-17(11)19)12-6-7-14(21-2)15(9-12)22-3/h4-10H,1-3H3
InChIKeyLMNUFVIMWNIJTH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.14
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 2758451) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID2758451
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2nc3c(C)cccn3c2C=O)cc1OC
InChIInChI=1S/C17H16N2O3/c1-11-5-4-8-19-13(10-20)16(18-17(11)19)12-6-7-14(21-2)15(9-12)22-3/h4-10H,1-3H3
InChIKeyLMNUFVIMWNIJTH-UHFFFAOYSA-N
XLogP3.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.14
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

3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375
2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
1-[2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029446
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529691
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
6-(3,4-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197871
3-methoxy-8-methyl-2-phenylimidazo[1,2-a]pyridine
CID 13211847
8-chloro-2-naphthalen-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 87886295
6-(3,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197939
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
3-amino-2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355906

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 2758451) is 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde is COc1ccc(-c2nc3c(C)cccn3c2C=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is LMNUFVIMWNIJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-5-4-8-19-13(10-20)16(18-17(11)19)12-6-7-14(21-2)15(9-12)22-3/h4-10H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 296.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 2758451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).