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

C23H18FN5O2 — CID 71841123

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 Name: 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
• PubChem CID: 71841123
• Molecular Formula: C23H18FN5O2
• Molecular Weight: 415.43 g/mol
• Exact Mass: 415.14
• IUPAC Name: 4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
• SMILES: N#Cc1ccc(C(=O)NCCn2c(=O)n(Cc3ccc(F)cc3)c3cccnc32)cc1
• InChI: 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)
• InChIKey: XLWDNGWLVPARFV-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.43
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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).