4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

C23H21FN4O — CID 83278480

IUPAC4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESO=C(NCCn1c(CCc2ccccc2)nc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O/c24-19-11-9-18(10-12-19)23(29)26-15-16-28-21(13-8-17-5-2-1-3-6-17)27-20-7-4-14-25-22(20)28/h1-7,9-12,14H,8,13,15-16H2,(H,26,29)
InChIKeyNOTDWBXHBKVJLP-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.79
Rot. Bonds7

About 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (PubChem CID 83278480) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
PubChem CID83278480
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESO=C(NCCn1c(CCc2ccccc2)nc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O/c24-19-11-9-18(10-12-19)23(29)26-15-16-28-21(13-8-17-5-2-1-3-6-17)27-20-7-4-14-25-22(20)28/h1-7,9-12,14H,8,13,15-16H2,(H,26,29)
InChIKeyNOTDWBXHBKVJLP-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 83278481
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
N-[4-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 50762311
4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841124
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide
CID 71842734
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873
2-(3-fluorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53020252
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-nitrobenzamide
CID 53022362
4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
CID 117166780
2-methoxy-N-[2-(3-propylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 71842723
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 53143754
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (CID 83278480) is 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is O=C(NCCn1c(CCc2ccccc2)nc2cccnc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The InChIKey is NOTDWBXHBKVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-19-11-9-18(10-12-19)23(29)26-15-16-28-21(13-8-17-5-2-1-3-6-17)27-20-7-4-14-25-22(20)28/h1-7,9-12,14H,8,13,15-16H2,(H,26,29).
What are the key properties of 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide has a molecular weight of 388.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 83278480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).