ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate

C18H22N2O5 — CID 171146234

IUPACethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=C2NCCN2C(=O)CC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N2O5/c1-4-25-18(22)16-12(10-15(21)20-8-7-19-17(16)20)11-5-6-13(23-2)14(9-11)24-3/h5-6,9,12,19H,4,7-8,10H2,1-3H3
InChIKeyUUUGBABHULLYMX-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.40
Rot. Bonds5

About ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate

ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 171146234) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID171146234
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=C2NCCN2C(=O)CC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N2O5/c1-4-25-18(22)16-12(10-15(21)20-8-7-19-17(16)20)11-5-6-13(23-2)14(9-11)24-3/h5-6,9,12,19H,4,7-8,10H2,1-3H3
InChIKeyUUUGBABHULLYMX-UHFFFAOYSA-N
XLogP1.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761315
ethyl (4R)-4-(3,4-dimethoxyphenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95183846
ethyl 6-(3,4-dimethoxyphenyl)-3-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42821395
ethyl 4-(diethylaminomethyl)-6-(3,4-dimethoxyphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42821405
ethyl (4S)-4-(3,4-dimethoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95183849
ethyl 6-[(4-carbamoylpiperidin-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920797
ethyl (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 7079999
ethyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 803073
ethyl (6S)-4-[(2,4-difluorophenoxy)methyl]-6-(3,4-dimethoxyphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93158385
ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761245
ethyl 6-(3-methoxy-4-propoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2863468
ethyl 4-(3,4-dimethoxyphenyl)-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920801

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate (CID 171146234) is ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)C1=C2NCCN2C(=O)CC1c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is UUUGBABHULLYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-4-25-18(22)16-12(10-15(21)20-8-7-19-17(16)20)11-5-6-13(23-2)14(9-11)24-3/h5-6,9,12,19H,4,7-8,10H2,1-3H3.
What are the key properties of ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate?
ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3,4-dimethoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 171146234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).