methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate

C22H24N2O4 — CID 159237758

IUPACmethyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
SMILESCCOc1cccn2c(C(=O)C[C@@H](C)c3cccc(C(=O)OC)c3)c(C)nc12
InChIInChI=1S/C22H24N2O4/c1-5-28-19-10-7-11-24-20(15(3)23-21(19)24)18(25)12-14(2)16-8-6-9-17(13-16)22(26)27-4/h6-11,13-14H,5,12H2,1-4H3/t14-/m1/s1
InChIKeyKTRUXOKYDKLGFO-CQSZACIVSA-N
MW380.44 g/mol
LogP4.20
Rot. Bonds7

About methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate

methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate (PubChem CID 159237758) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
PubChem CID159237758
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
SMILESCCOc1cccn2c(C(=O)C[C@@H](C)c3cccc(C(=O)OC)c3)c(C)nc12
InChIInChI=1S/C22H24N2O4/c1-5-28-19-10-7-11-24-20(15(3)23-21(19)24)18(25)12-14(2)16-8-6-9-17(13-16)22(26)27-4/h6-11,13-14H,5,12H2,1-4H3/t14-/m1/s1
InChIKeyKTRUXOKYDKLGFO-CQSZACIVSA-N
XLogP4.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate with MolForge

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Related Compounds

methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate
CID 163745270
(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
CID 147175818
methyl 3-[(1S)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 90091198
carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
CID 159219482
2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
CID 159230015
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-5-oxo-3-thiophen-3-ylpentanoic acid
CID 157090217
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 158228961
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 147384263
8-ethoxy-N-(4-iodophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110659980
methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 159969099
methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
CID 160620966

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate?
The IUPAC name of methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate (CID 159237758) is methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate.
What is the SMILES notation for methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate?
The canonical SMILES for methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate is CCOc1cccn2c(C(=O)C[C@@H](C)c3cccc(C(=O)OC)c3)c(C)nc12.
What is the InChIKey of methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate?
The InChIKey is KTRUXOKYDKLGFO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-28-19-10-7-11-24-20(15(3)23-21(19)24)18(25)12-14(2)16-8-6-9-17(13-16)22(26)27-4/h6-11,13-14H,5,12H2,1-4H3/t14-/m1/s1.
What are the key properties of methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate?
methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate has a molecular weight of 380.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate is sourced from PubChem (CID 159237758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).