[1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate

C22H24N2O5 — CID 70355828

IUPAC[1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)OC1Cc2ccccc2C1Oc1cccn2c(CO)c(C)nc12
InChIInChI=1S/C22H24N2O5/c1-13-17(12-25)24-10-6-9-18(21(24)23-13)28-20-16-8-5-4-7-15(16)11-19(20)29-22(26)14(2)27-3/h4-10,14,19-20,25H,11-12H2,1-3H3/t14-,19?,20?/m0/s1
InChIKeyCZJUSAFRIZRYPP-JAGHRAMZSA-N
MW396.44 g/mol
LogP2.76
Rot. Bonds6

About [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate

[1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate (PubChem CID 70355828) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate.

Molecular Properties

Compound Name[1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
PubChem CID70355828
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)OC1Cc2ccccc2C1Oc1cccn2c(CO)c(C)nc12
InChIInChI=1S/C22H24N2O5/c1-13-17(12-25)24-10-6-9-18(21(24)23-13)28-20-16-8-5-4-7-15(16)11-19(20)29-22(26)14(2)27-3/h4-10,14,19-20,25H,11-12H2,1-3H3/t14-,19?,20?/m0/s1
InChIKeyCZJUSAFRIZRYPP-JAGHRAMZSA-N
XLogP2.76
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
[(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
[(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
[(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-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate
CID 88602568
[8-(2,3-dihydro-1H-inden-1-yloxy)-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 70404568
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
1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol
CID 74001536
[8-(2,3-dihydro-1H-inden-2-ylmethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 70414109
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-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol
CID 70403650
(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529517

Frequently Asked Questions

What is the IUPAC name of [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
The IUPAC name of [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate (CID 70355828) is [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate.
What is the SMILES notation for [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
The canonical SMILES for [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate is CO[C@@H](C)C(=O)OC1Cc2ccccc2C1Oc1cccn2c(CO)c(C)nc12.
What is the InChIKey of [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
The InChIKey is CZJUSAFRIZRYPP-JAGHRAMZSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-13-17(12-25)24-10-6-9-18(21(24)23-13)28-20-16-8-5-4-7-15(16)11-19(20)29-22(26)14(2)27-3/h4-10,14,19-20,25H,11-12H2,1-3H3/t14-,19?,20?/m0/s1.
What are the key properties of [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
[1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate has a molecular weight of 396.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate is sourced from PubChem (CID 70355828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).