ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate

C34H29F3N4O6 — CID 159613114

IUPACethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)nc2ccccn12.COc1ccc(-c2nc3ccccn3c2C(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O3.C17H16N2O3/c1-24-12-7-5-11(6-8-12)14-15(16(23)25-10-17(18,19)20)22-9-3-2-4-13(22)21-14;1-3-22-17(20)16-15(12-7-9-13(21-2)10-8-12)18-14-6-4-5-11-19(14)16/h2-9H,10H2,1H3;4-11H,3H2,1-2H3
InChIKeyMMYKVOBWGZKDNJ-UHFFFAOYSA-N
MW646.62 g/mol
LogP6.92
Rot. Bonds8

About ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 159613114) has the molecular formula C34H29F3N4O6 and a molecular weight of 646.62 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID159613114
Molecular FormulaC34H29F3N4O6
Molecular Weight646.62 g/mol
Exact Mass646.20
IUPAC Nameethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)nc2ccccn12.COc1ccc(-c2nc3ccccn3c2C(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O3.C17H16N2O3/c1-24-12-7-5-11(6-8-12)14-15(16(23)25-10-17(18,19)20)22-9-3-2-4-13(22)21-14;1-3-22-17(20)16-15(12-7-9-13(21-2)10-8-12)18-14-6-4-5-11-19(14)16/h2-9H,10H2,1H3;4-11H,3H2,1-2H3
InChIKeyMMYKVOBWGZKDNJ-UHFFFAOYSA-N
XLogP6.92
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.62
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
Stat3-IN-32
CID 155591467
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
CID 146589040
[1-Methyl-6-[5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 155591463
[1-Methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 164936660
US10676479, Example 95
CID 139346167
2-(4-Methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde
CID 818106
N-benzyl-3-{[(2,3-dihydro-1-benzofuran-2-ylmethyl)(methyl)amino]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 16188425
N-(2-ethylphenyl)-2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 16323708
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-[6-(4-methoxyphenyl)-3-pyridinyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one
CID 57390667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 159613114) is ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)nc2ccccn12.COc1ccc(-c2nc3ccccn3c2C(=O)OCC(F)(F)F)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is MMYKVOBWGZKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3.C17H16N2O3/c1-24-12-7-5-11(6-8-12)14-15(16(23)25-10-17(18,19)20)22-9-3-2-4-13(22)21-14;1-3-22-17(20)16-15(12-7-9-13(21-2)10-8-12)18-14-6-4-5-11-19(14)16/h2-9H,10H2,1H3;4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 646.62 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 159613114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).