4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

C22H18F2N4O2 — CID 71841124

IUPAC4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESO=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C22H18F2N4O2/c23-17-7-3-15(4-8-17)14-28-19-2-1-11-25-20(19)27(22(28)30)13-12-26-21(29)16-5-9-18(24)10-6-16/h1-11H,12-14H2,(H,26,29)
InChIKeySSZWXFDPMGFULG-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.95
Rot. Bonds6

About 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (PubChem CID 71841124) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
PubChem CID71841124
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESO=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C22H18F2N4O2/c23-17-7-3-15(4-8-17)14-28-19-2-1-11-25-20(19)27(22(28)30)13-12-26-21(29)16-5-9-18(24)10-6-16/h1-11H,12-14H2,(H,26,29)
InChIKeySSZWXFDPMGFULG-UHFFFAOYSA-N
XLogP2.95
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841123
N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide
CID 53159427
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide
CID 71841253
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide
CID 71841245
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]pyridine-2-carboxamide
CID 71841230
4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841066
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(dimethylamino)benzamide
CID 71841244
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 71841171
2-(3-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 71841196
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide
CID 71841205
3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841078
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 53159393

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (CID 71841124) is 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The InChIKey is SSZWXFDPMGFULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c23-17-7-3-15(4-8-17)14-28-19-2-1-11-25-20(19)27(22(28)30)13-12-26-21(29)16-5-9-18(24)10-6-16/h1-11H,12-14H2,(H,26,29).
What are the key properties of 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide has a molecular weight of 408.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 71841124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).