1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol

C17H15N3O3 — CID 74001536

IUPAC1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc2c(OC3c4ccccc4CC3O)cccn2c1N=O
InChIInChI=1S/C17H15N3O3/c1-10-16(19-22)20-8-4-7-14(17(20)18-10)23-15-12-6-3-2-5-11(12)9-13(15)21/h2-8,13,15,21H,9H2,1H3
InChIKeyZDMZENDPNFZVNB-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol

1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol (PubChem CID 74001536) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol
PubChem CID74001536
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc2c(OC3c4ccccc4CC3O)cccn2c1N=O
InChIInChI=1S/C17H15N3O3/c1-10-16(19-22)20-8-4-7-14(17(20)18-10)23-15-12-6-3-2-5-11(12)9-13(15)21/h2-8,13,15,21H,9H2,1H3
InChIKeyZDMZENDPNFZVNB-UHFFFAOYSA-N
XLogP3.08
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 74001544
8-(cyclohexylmethoxy)-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 14676228
[1-(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-yl] 2-methoxyacetate
CID 88602568
[(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
[(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-(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-(2,3-dihydro-1H-inden-1-yloxy)-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 70404568
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol (CID 74001536) is 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol is Cc1nc2c(OC3c4ccccc4CC3O)cccn2c1N=O.
What is the InChIKey of 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol?
The InChIKey is ZDMZENDPNFZVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-16(19-22)20-8-4-7-14(17(20)18-10)23-15-12-6-3-2-5-11(12)9-13(15)21/h2-8,13,15,21H,9H2,1H3.
What are the key properties of 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol?
1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol has a molecular weight of 309.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-nitrosoimidazo[1,2-a]pyridin-8-yl)oxy-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 74001536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).