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

C23H20N2O5 — CID 70356023

IUPAC[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] furan-2-carboxylate
SMILESCc1nc2c(O[C@@H]3c4ccccc4C[C@H]3OC(=O)c3ccco3)cccn2c1CO
InChIInChI=1S/C23H20N2O5/c1-14-17(13-26)25-10-4-8-18(22(25)24-14)29-21-16-7-3-2-6-15(16)12-20(21)30-23(27)19-9-5-11-28-19/h2-11,20-21,26H,12-13H2,1H3/t20-,21-/m1/s1
InChIKeyHNPMLOKWSPIYKZ-NHCUHLMSSA-N
MW404.42 g/mol
LogP3.63
Rot. Bonds5

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

[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] furan-2-carboxylate (PubChem CID 70356023) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 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] furan-2-carboxylate.

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] furan-2-carboxylate
PubChem CID70356023
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] furan-2-carboxylate
SMILESCc1nc2c(O[C@@H]3c4ccccc4C[C@H]3OC(=O)c3ccco3)cccn2c1CO
InChIInChI=1S/C23H20N2O5/c1-14-17(13-26)25-10-4-8-18(22(25)24-14)29-21-16-7-3-2-6-15(16)12-20(21)30-23(27)19-9-5-11-28-19/h2-11,20-21,26H,12-13H2,1H3/t20-,21-/m1/s1
InChIKeyHNPMLOKWSPIYKZ-NHCUHLMSSA-N
XLogP3.63
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-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-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
[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate
CID 170936704
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
cyclopentyl furan-2-carboxylate
CID 565207
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
CID 159220216
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
CID 159220214

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] furan-2-carboxylate?
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] furan-2-carboxylate (CID 70356023) is [(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] furan-2-carboxylate.
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] furan-2-carboxylate?
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] furan-2-carboxylate is Cc1nc2c(O[C@@H]3c4ccccc4C[C@H]3OC(=O)c3ccco3)cccn2c1CO.
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] furan-2-carboxylate?
The InChIKey is HNPMLOKWSPIYKZ-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-14-17(13-26)25-10-4-8-18(22(25)24-14)29-21-16-7-3-2-6-15(16)12-20(21)30-23(27)19-9-5-11-28-19/h2-11,20-21,26H,12-13H2,1H3/t20-,21-/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] furan-2-carboxylate?
[(1R,2R)-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] furan-2-carboxylate has a molecular weight of 404.42 g/mol, XLogP of 3.63, 5 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] furan-2-carboxylate is sourced from PubChem (CID 70356023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).