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

C23H18FN5O2 — CID 71841123

IUPAC4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCn2c(=O)n(Cc3ccc(F)cc3)c3cccnc32)cc1
InChIInChI=1S/C23H18FN5O2/c24-19-9-5-17(6-10-19)15-29-20-2-1-11-26-21(20)28(23(29)31)13-12-27-22(30)18-7-3-16(14-25)4-8-18/h1-11H,12-13,15H2,(H,27,30)
InChIKeyXLWDNGWLVPARFV-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.69
Rot. Bonds6

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

4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (PubChem CID 71841123) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
PubChem CID71841123
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCn2c(=O)n(Cc3ccc(F)cc3)c3cccnc32)cc1
InChIInChI=1S/C23H18FN5O2/c24-19-9-5-17(6-10-19)15-29-20-2-1-11-26-21(20)28(23(29)31)13-12-27-22(30)18-7-3-16(14-25)4-8-18/h1-11H,12-13,15H2,(H,27,30)
InChIKeyXLWDNGWLVPARFV-UHFFFAOYSA-N
XLogP2.69
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (CID 71841123) is 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is N#Cc1ccc(C(=O)NCCn2c(=O)n(Cc3ccc(F)cc3)c3cccnc32)cc1.
What is the InChIKey of 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The InChIKey is XLWDNGWLVPARFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-19-9-5-17(6-10-19)15-29-20-2-1-11-26-21(20)28(23(29)31)13-12-27-22(30)18-7-3-16(14-25)4-8-18/h1-11H,12-13,15H2,(H,27,30).
What are the key properties of 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide has a molecular weight of 415.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 71841123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).