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

C26H24N2O5 — CID 70356028

IUPAC[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O[C@@H]1Cc2ccccc2[C@H]1Oc1cccn2c(CO)c(C)nc12
InChIInChI=1S/C26H24N2O5/c1-16-20(15-29)28-13-7-12-22(25(28)27-16)32-24-18-9-4-3-8-17(18)14-23(24)33-26(30)19-10-5-6-11-21(19)31-2/h3-13,23-24,29H,14-15H2,1-2H3/t23-,24-/m1/s1
InChIKeyXPQIYAQOJSXLHX-DNQXCXABSA-N
MW444.49 g/mol
LogP4.05
Rot. Bonds6

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

[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate (PubChem CID 70356028) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate.

Molecular Properties

Compound Name[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate
PubChem CID70356028
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O[C@@H]1Cc2ccccc2[C@H]1Oc1cccn2c(CO)c(C)nc12
InChIInChI=1S/C26H24N2O5/c1-16-20(15-29)28-13-7-12-22(25(28)27-16)32-24-18-9-4-3-8-17(18)14-23(24)33-26(30)19-10-5-6-11-21(19)31-2/h3-13,23-24,29H,14-15H2,1-2H3/t23-,24-/m1/s1
InChIKeyXPQIYAQOJSXLHX-DNQXCXABSA-N
XLogP4.05
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
CID 70355828
[(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
[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate
CID 88602568
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
[8-(2,3-dihydro-1H-inden-1-yloxy)-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 70404568
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
[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol
CID 70403650
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
(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529517

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate?
The IUPAC name of [(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) is [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate.
What is the SMILES notation for [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate?
The canonical SMILES for [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate is COc1ccccc1C(=O)O[C@@H]1Cc2ccccc2[C@H]1Oc1cccn2c(CO)c(C)nc12.
What is the InChIKey of [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate?
The InChIKey is XPQIYAQOJSXLHX-DNQXCXABSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-16-20(15-29)28-13-7-12-22(25(28)27-16)32-24-18-9-4-3-8-17(18)14-23(24)33-26(30)19-10-5-6-11-21(19)31-2/h3-13,23-24,29H,14-15H2,1-2H3/t23-,24-/m1/s1.
What are the key properties of [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate?
[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate has a molecular weight of 444.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxybenzoate is sourced from PubChem (CID 70356028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).