N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide

C21H16F2N4O2 — CID 53159259

IUPACN-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1cc(F)ccc1F
InChIInChI=1S/C21H16F2N4O2/c22-15-8-9-17(23)14(11-15)12-25-19(28)13-26-18-7-4-10-24-20(18)27(21(26)29)16-5-2-1-3-6-16/h1-11H,12-13H2,(H,25,28)
InChIKeyAJVLMJNITUFOGT-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.78
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide

N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 53159259) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID53159259
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1cc(F)ccc1F
InChIInChI=1S/C21H16F2N4O2/c22-15-8-9-17(23)14(11-15)12-25-19(28)13-26-18-7-4-10-24-20(18)27(21(26)29)16-5-2-1-3-6-16/h1-11H,12-13H2,(H,25,28)
InChIKeyAJVLMJNITUFOGT-UHFFFAOYSA-N
XLogP2.78
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841351
N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841449
N-[(2-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841450
N-[(2-ethoxyphenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841304
N-[(3-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841343
N-[(2,5-difluorophenyl)methyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149148
N-(2-ethylphenyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841504
N-(3-methoxypropyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159278
2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71841390
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159323
N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841367
2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 53200902

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide (CID 53159259) is N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide is O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is AJVLMJNITUFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-15-8-9-17(23)14(11-15)12-25-19(28)13-26-18-7-4-10-24-20(18)27(21(26)29)16-5-2-1-3-6-16/h1-11H,12-13H2,(H,25,28).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 394.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 53159259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).