2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

C22H26N4O2S — CID 71841276

IUPAC2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cn2c(=O)n(C3CCCCC3)c3ncccc32)cc1
InChIInChI=1S/C22H26N4O2S/c1-29-18-11-9-16(10-12-18)14-24-20(27)15-25-19-8-5-13-23-21(19)26(22(25)28)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3,(H,24,27)
InChIKeyOJGNPXTXIVIHPZ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 71841276) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID71841276
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cn2c(=O)n(C3CCCCC3)c3ncccc32)cc1
InChIInChI=1S/C22H26N4O2S/c1-29-18-11-9-16(10-12-18)14-24-20(27)15-25-19-8-5-13-23-21(19)26(22(25)28)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3,(H,24,27)
InChIKeyOJGNPXTXIVIHPZ-UHFFFAOYSA-N
XLogP3.74
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159382
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 71841297
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-propan-2-ylacetamide
CID 53159374
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 22582732
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95099415
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53159343
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-ethylphenyl)acetamide
CID 53159371
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 53159341
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
CID 58710621
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53159372
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 71841276) is 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CNC(=O)Cn2c(=O)n(C3CCCCC3)c3ncccc32)cc1.
What is the InChIKey of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is OJGNPXTXIVIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-29-18-11-9-16(10-12-18)14-24-20(27)15-25-19-8-5-13-23-21(19)26(22(25)28)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3,(H,24,27).
What are the key properties of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 71841276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).