[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

C19H18N2O3 — CID 7226254

IUPAC[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-14-7-9-15(10-8-14)18(22)13(2)24-19(23)16-12-21-11-5-4-6-17(21)20-16/h4-13H,3H2,1-2H3/t13-/m1/s1
InChIKeyVRYNKGBCBNDRCV-CYBMUJFWSA-N
MW322.36 g/mol
LogP3.32
Rot. Bonds5

About [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7226254) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7226254
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-14-7-9-15(10-8-14)18(22)13(2)24-19(23)16-12-21-11-5-4-6-17(21)20-16/h4-13H,3H2,1-2H3/t13-/m1/s1
InChIKeyVRYNKGBCBNDRCV-CYBMUJFWSA-N
XLogP3.32
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226286
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246989
[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247094
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226279
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226287
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734890
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246853
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246973
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786565

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7226254) is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is VRYNKGBCBNDRCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-14-7-9-15(10-8-14)18(22)13(2)24-19(23)16-12-21-11-5-4-6-17(21)20-16/h4-13H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7226254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).