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

C22H18F2N4O2 — CID 71841449

IUPACN-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(F)cc3F)c3cccnc32)cc1
InChIInChI=1S/C22H18F2N4O2/c1-14-4-8-17(9-5-14)28-21-19(3-2-10-25-21)27(22(28)30)13-20(29)26-12-15-6-7-16(23)11-18(15)24/h2-11H,12-13H2,1H3,(H,26,29)
InChIKeyFRBRSURTPVXXLQ-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.09
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide (PubChem CID 71841449) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
PubChem CID71841449
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(F)cc3F)c3cccnc32)cc1
InChIInChI=1S/C22H18F2N4O2/c1-14-4-8-17(9-5-14)28-21-19(3-2-10-25-21)27(22(28)30)13-20(29)26-12-15-6-7-16(23)11-18(15)24/h2-11H,12-13H2,1H3,(H,26,29)
InChIKeyFRBRSURTPVXXLQ-UHFFFAOYSA-N
XLogP3.09
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841450
N-[(2-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841351
N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159259
N-[(2-ethoxyphenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841304
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propylacetamide
CID 71841486
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399
N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841367
N-[(4-ethoxyphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841414
N-[(3-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841343
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propan-2-ylacetamide
CID 71841477
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 71841413
N-(2-methoxyphenyl)-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841469

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide (CID 71841449) is N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide is Cc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(F)cc3F)c3cccnc32)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
The InChIKey is FRBRSURTPVXXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-14-4-8-17(9-5-14)28-21-19(3-2-10-25-21)27(22(28)30)13-20(29)26-12-15-6-7-16(23)11-18(15)24/h2-11H,12-13H2,1H3,(H,26,29).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide has a molecular weight of 408.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 71841449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).