3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile

C17H11N3O3 — CID 131975057

IUPAC3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCOc1ccc2oc(-c3nc4cc(C#N)ccn4c3O)cc2c1
InChIInChI=1S/C17H11N3O3/c1-22-12-2-3-13-11(7-12)8-14(23-13)16-17(21)20-5-4-10(9-18)6-15(20)19-16/h2-8,21H,1H3
InChIKeyKONQTYBYNJRPES-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.33
Rot. Bonds2

About 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile

3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 131975057) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
PubChem CID131975057
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCOc1ccc2oc(-c3nc4cc(C#N)ccn4c3O)cc2c1
InChIInChI=1S/C17H11N3O3/c1-22-12-2-3-13-11(7-12)8-14(23-13)16-17(21)20-5-4-10(9-18)6-15(20)19-16/h2-8,21H,1H3
InChIKeyKONQTYBYNJRPES-UHFFFAOYSA-N
XLogP3.33
TPSA83.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 158215393
tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid
CID 130475704
2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
CID 170451678
6-chloro-3-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazine
CID 71491930
5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 5115060
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567167
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
5-(5-methoxy-1-benzofuran-2-yl)-1,2-oxazol-4-amine
CID 115109669
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile
CID 122189024
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
4-methoxy(13C)benzonitrile
CID 175991125
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
CID 57381256

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile?
The IUPAC name of 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile (CID 131975057) is 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile is COc1ccc2oc(-c3nc4cc(C#N)ccn4c3O)cc2c1.
What is the InChIKey of 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile?
The InChIKey is KONQTYBYNJRPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c1-22-12-2-3-13-11(7-12)8-14(23-13)16-17(21)20-5-4-10(9-18)6-15(20)19-16/h2-8,21H,1H3.
What are the key properties of 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile?
3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 305.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 131975057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).