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

C28H25FN2O4 — CID 158351400

IUPACmethyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2[C@H]1CC(=O)c1c(C)nc2c(OCc3ccccc3F)cccn12
InChIInChI=1S/C28H25FN2O4/c1-17-26(24(32)15-21-20-10-5-3-8-18(20)14-22(21)28(33)34-2)31-13-7-12-25(27(31)30-17)35-16-19-9-4-6-11-23(19)29/h3-13,21-22H,14-16H2,1-2H3/t21-,22-/m1/s1
InChIKeyGSJALVPSDZELIC-FGZHOGPDSA-N
MW472.52 g/mol
LogP5.06
Rot. Bonds7

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

methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 158351400) has the molecular formula C28H25FN2O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID158351400
Molecular FormulaC28H25FN2O4
Molecular Weight472.52 g/mol
Exact Mass472.18
IUPAC Namemethyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2[C@H]1CC(=O)c1c(C)nc2c(OCc3ccccc3F)cccn12
InChIInChI=1S/C28H25FN2O4/c1-17-26(24(32)15-21-20-10-5-3-8-18(20)14-22(21)28(33)34-2)31-13-7-12-25(27(31)30-17)35-16-19-9-4-6-11-23(19)29/h3-13,21-22H,14-16H2,1-2H3/t21-,22-/m1/s1
InChIKeyGSJALVPSDZELIC-FGZHOGPDSA-N
XLogP5.06
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-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-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 46943153
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
3-[(3-Fluorophenyl)methyl]-2-(2-furanyl)imidazo[2,1-a]isoquinoline
CID 51359072
2-(Furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
CID 53299389
2-ethyl-5-[2-methyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 145974463
3-[4-[[2-(4-Fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156011880

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate (CID 158351400) is methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)[C@@H]1Cc2ccccc2[C@H]1CC(=O)c1c(C)nc2c(OCc3ccccc3F)cccn12.
What is the InChIKey of methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is GSJALVPSDZELIC-FGZHOGPDSA-N. The full InChI is InChI=1S/C28H25FN2O4/c1-17-26(24(32)15-21-20-10-5-3-8-18(20)14-22(21)28(33)34-2)31-13-7-12-25(27(31)30-17)35-16-19-9-4-6-11-23(19)29/h3-13,21-22H,14-16H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate?
methyl (1S,2R)-1-[2-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 472.52 g/mol, XLogP of 5.06, 7 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-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 158351400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).