methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

C19H18N2O4 — CID 159798650

IUPACmethyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(CCc2ccc(C=O)cc2OC)ccc2nccn12
InChIInChI=1S/C19H18N2O4/c1-24-16-11-13(12-22)3-4-14(16)5-6-15-7-8-17-20-9-10-21(17)18(15)19(23)25-2/h3-4,7-12H,5-6H2,1-2H3
InChIKeyRPDYVHHSERPNOV-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.73
Rot. Bonds6

About methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 159798650) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID159798650
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(CCc2ccc(C=O)cc2OC)ccc2nccn12
InChIInChI=1S/C19H18N2O4/c1-24-16-11-13(12-22)3-4-14(16)5-6-15-7-8-17-20-9-10-21(17)18(15)19(23)25-2/h3-4,7-12H,5-6H2,1-2H3
InChIKeyRPDYVHHSERPNOV-UHFFFAOYSA-N
XLogP2.73
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate with MolForge

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Related Compounds

amino 2-(4-formyl-2-methoxyphenyl)acetate
CID 175512455
6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 158398698
4-methoxy-3-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]benzaldehyde
CID 46479695
dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate
CID 145097704
4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzaldehyde
CID 3345198
dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
CID 159846685
4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528014
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
3-methoxy-4-[1-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 117052364
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 159798650) is methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1c(CCc2ccc(C=O)cc2OC)ccc2nccn12.
What is the InChIKey of methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is RPDYVHHSERPNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-16-11-13(12-22)3-4-14(16)5-6-15-7-8-17-20-9-10-21(17)18(15)19(23)25-2/h3-4,7-12H,5-6H2,1-2H3.
What are the key properties of methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(4-formyl-2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 159798650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).