methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate

C23H23FN2O4 — CID 147382330

IUPACmethyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOc1cccn2c(C(=O)C[C@@H]3c4cc(F)ccc4C[C@H]3C(=O)OC)c(C)nc12
InChIInChI=1S/C23H23FN2O4/c1-4-30-20-6-5-9-26-21(13(2)25-22(20)26)19(27)12-17-16-11-15(24)8-7-14(16)10-18(17)23(28)29-3/h5-9,11,17-18H,4,10,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyDLFIOUWWMWMAFQ-QZTJIDSGSA-N
MW410.45 g/mol
LogP3.88
Rot. Bonds6

About methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate

methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 147382330) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-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]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID147382330
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Namemethyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOc1cccn2c(C(=O)C[C@@H]3c4cc(F)ccc4C[C@H]3C(=O)OC)c(C)nc12
InChIInChI=1S/C23H23FN2O4/c1-4-30-20-6-5-9-26-21(13(2)25-22(20)26)19(27)12-17-16-11-15(24)8-7-14(16)10-18(17)23(28)29-3/h5-9,11,17-18H,4,10,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyDLFIOUWWMWMAFQ-QZTJIDSGSA-N
XLogP3.88
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.88
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]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate with MolForge

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Related Compounds

6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
CID 25008082
N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
CID 25008245
N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
CID 25010701
(3R)-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
CID 46905053
Methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 46943561
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylpropanamide
CID 49778795
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N-methyl-2-phenoxyacetamide
CID 49786482
Methyl 2-[[2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 49789690
N-[8-(cyclohexylmethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49791079
[4-[3-(Dibutylamino)propoxy]phenyl]-(8-methylimidazo[1,2-a]pyridin-3-yl)methanone;hydrochloride
CID 49860436
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321196
4-(4-Fluorophenyl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)picolinamide
CID 122539744

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]-6-fluoro-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]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate (CID 147382330) is methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-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]-6-fluoro-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]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate is CCOc1cccn2c(C(=O)C[C@@H]3c4cc(F)ccc4C[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]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is DLFIOUWWMWMAFQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-4-30-20-6-5-9-26-21(13(2)25-22(20)26)19(27)12-17-16-11-15(24)8-7-14(16)10-18(17)23(28)29-3/h5-9,11,17-18H,4,10,12H2,1-3H3/t17-,18-/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]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate?
methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 410.45 g/mol, XLogP of 3.88, 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]-6-fluoro-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 147382330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).