1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile

C22H18N4O2 — CID 58577405

IUPAC1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(C#N)cc21
InChIInChI=1S/C22H18N4O2/c1-2-25-20-12-17(13-23)14-24-21(20)26(22(25)27)18-8-10-19(11-9-18)28-15-16-6-4-3-5-7-16/h3-12,14H,2,15H2,1H3
InChIKeyJYHXOGBGLLNGET-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.66
Rot. Bonds5

About 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile

1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 58577405) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID58577405
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(C#N)cc21
InChIInChI=1S/C22H18N4O2/c1-2-25-20-12-17(13-23)14-24-21(20)26(22(25)27)18-8-10-19(11-9-18)28-15-16-6-4-3-5-7-16/h3-12,14H,2,15H2,1H3
InChIKeyJYHXOGBGLLNGET-UHFFFAOYSA-N
XLogP3.66
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
CID 58577733
ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
3-[[1-ethyl-3-(4-fluorophenyl)-2,6-dioxopurin-7-yl]methyl]benzonitrile
CID 46062036
7-ethyl-9-(4-fluorophenyl)-8-oxo-2-(3-phenylmethoxyphenyl)purine-6-carboxamide
CID 53088184
4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38773044
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
6-phenylmethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175982897
3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2735500
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile (CID 58577405) is 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile is CCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(C#N)cc21.
What is the InChIKey of 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is JYHXOGBGLLNGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-2-25-20-12-17(13-23)14-24-21(20)26(22(25)27)18-8-10-19(11-9-18)28-15-16-6-4-3-5-7-16/h3-12,14H,2,15H2,1H3.
What are the key properties of 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 58577405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).