1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride

C21H23ClN2O3 — CID 161331743

IUPAC1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride
SMILESCCOc1cccn2c(C(=O)C[C@@H]3c4ccccc4C[C@@H]3O)c(C)nc12.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-3-26-19-9-6-10-23-20(13(2)22-21(19)23)18(25)12-16-15-8-5-4-7-14(15)11-17(16)24;/h4-10,16-17,24H,3,11-12H2,1-2H3;1H/t16-,17+;/m1./s1
InChIKeyFTROGBFXNCZMIU-PPPUBMIESA-N
MW386.88 g/mol
LogP3.74
Rot. Bonds5

About 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride

1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride (PubChem CID 161331743) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride
PubChem CID161331743
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride
SMILESCCOc1cccn2c(C(=O)C[C@@H]3c4ccccc4C[C@@H]3O)c(C)nc12.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-3-26-19-9-6-10-23-20(13(2)22-21(19)23)18(25)12-16-15-8-5-4-7-14(15)11-17(16)24;/h4-10,16-17,24H,3,11-12H2,1-2H3;1H/t16-,17+;/m1./s1
InChIKeyFTROGBFXNCZMIU-PPPUBMIESA-N
XLogP3.74
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
CID 159220216
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
CID 159220214
(1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 159322024
(3R)-3-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 152820733
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
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
CID 147175818
1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 90090192
methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate
CID 149376437
8-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090266
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(hydroxymethyl)-4-(2-methylphenyl)butan-1-one
CID 162221809
carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
CID 159219482

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride (CID 161331743) is 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride is CCOc1cccn2c(C(=O)C[C@@H]3c4ccccc4C[C@@H]3O)c(C)nc12.Cl.
What is the InChIKey of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride?
The InChIKey is FTROGBFXNCZMIU-PPPUBMIESA-N. The full InChI is InChI=1S/C21H22N2O3.ClH/c1-3-26-19-9-6-10-23-20(13(2)22-21(19)23)18(25)12-16-15-8-5-4-7-14(15)11-17(16)24;/h4-10,16-17,24H,3,11-12H2,1-2H3;1H/t16-,17+;/m1./s1.
What are the key properties of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride?
1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 161331743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).