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

C24H26N2O4 — CID 159969099

IUPACmethyl (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
SMILESCCOc1cccn2c(C(=O)C[C@@H]3c4cccc(C)c4C[C@H]3C(=O)OC)c(C)nc12
InChIInChI=1S/C24H26N2O4/c1-5-30-21-10-7-11-26-22(15(3)25-23(21)26)20(27)13-18-16-9-6-8-14(2)17(16)12-19(18)24(28)29-4/h6-11,18-19H,5,12-13H2,1-4H3/t18-,19-/m1/s1
InChIKeyOEHRQUGVDJOLMS-RTBURBONSA-N
MW406.48 g/mol
LogP4.05
Rot. Bonds6

About 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

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 (PubChem CID 159969099) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID159969099
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namemethyl (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
SMILESCCOc1cccn2c(C(=O)C[C@@H]3c4cccc(C)c4C[C@H]3C(=O)OC)c(C)nc12
InChIInChI=1S/C24H26N2O4/c1-5-30-21-10-7-11-26-22(15(3)25-23(21)26)20(27)13-18-16-9-6-8-14(2)17(16)12-19(18)24(28)29-4/h6-11,18-19H,5,12-13H2,1-4H3/t18-,19-/m1/s1
InChIKeyOEHRQUGVDJOLMS-RTBURBONSA-N
XLogP4.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
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
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
(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
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 71478606
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
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
methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
CID 159237758
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(hydroxymethyl)-4-(2-methylphenyl)butan-1-one
CID 162221809
8-ethoxy-N-(4-iodophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110659980
8-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090266

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cccn2c(C(=O)C[C@@H]3c4cccc(C)c4C[C@H]3C(=O)OC)c(C)nc12.
What is the InChIKey of 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?
The InChIKey is OEHRQUGVDJOLMS-RTBURBONSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-5-30-21-10-7-11-26-22(15(3)25-23(21)26)20(27)13-18-16-9-6-8-14(2)17(16)12-19(18)24(28)29-4/h6-11,18-19H,5,12-13H2,1-4H3/t18-,19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 406.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159969099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).