[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate

C21H20N2O5 — CID 88602568

IUPAC[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate
SMILESCOCC(=O)OC1Cc2ccccc2C1Oc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C21H20N2O5/c1-13-16(11-24)23-9-5-8-17(21(23)22-13)28-20-15-7-4-3-6-14(15)10-18(20)27-19(25)12-26-2/h3-9,11,18,20H,10,12H2,1-2H3
InChIKeyYDAVTOGBQKEWOY-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.69
Rot. Bonds6

About [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate

[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate (PubChem CID 88602568) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate
PubChem CID88602568
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate
SMILESCOCC(=O)OC1Cc2ccccc2C1Oc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C21H20N2O5/c1-13-16(11-24)23-9-5-8-17(21(23)22-13)28-20-15-7-4-3-6-14(15)10-18(20)27-19(25)12-26-2/h3-9,11,18,20H,10,12H2,1-2H3
InChIKeyYDAVTOGBQKEWOY-UHFFFAOYSA-N
XLogP2.69
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate
CID 70356028
[1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
CID 70355828
[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 4-methoxybenzoate
CID 70356057
8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 74001544
[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] furan-2-carboxylate
CID 70356023
1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol
CID 74001536
2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 57177844
[(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
CID 70355359
8-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 88639140
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
2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
[8-(2,3-dihydro-1H-inden-1-yloxy)-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 70404568

Frequently Asked Questions

What is the IUPAC name of [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate?
The IUPAC name of [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate (CID 88602568) is [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate.
What is the SMILES notation for [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate?
The canonical SMILES for [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate is COCC(=O)OC1Cc2ccccc2C1Oc1cccn2c(C=O)c(C)nc12.
What is the InChIKey of [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate?
The InChIKey is YDAVTOGBQKEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13-16(11-24)23-9-5-8-17(21(23)22-13)28-20-15-7-4-3-6-14(15)10-18(20)27-19(25)12-26-2/h3-9,11,18,20H,10,12H2,1-2H3.
What are the key properties of [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate?
[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate has a molecular weight of 380.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate is sourced from PubChem (CID 88602568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).