N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C25H22FN5O2 — CID 55750867

About N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 55750867) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• PubChem CID: 55750867
• Molecular Formula: C25H22FN5O2
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• SMILES: Cc1ccc2nc(COc3cccc(C(=O)NCCNc4cccc(F)c4C#N)c3)cn2c1
• InChI: InChI=1S/C25H22FN5O2/c1-17-8-9-24-30-19(15-31(24)14-17)16-33-20-5-2-4-18(12-20)25(32)29-11-10-28-23-7-3-6-22(26)21(23)13-27/h2-9,12,14-15,28H,10-11,16H2,1H3,(H,29,32)
• InChIKey: OIMUTLRBVHHOSC-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 91.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The IUPAC name of N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 55750867) is N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The canonical SMILES for N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3cccc(C(=O)NCCNc4cccc(F)c4C#N)c3)cn2c1.

What is the InChIKey of N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The InChIKey is OIMUTLRBVHHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-17-8-9-24-30-19(15-31(24)14-17)16-33-20-5-2-4-18(12-20)25(32)29-11-10-28-23-7-3-6-22(26)21(23)13-27/h2-9,12,14-15,28H,10-11,16H2,1H3,(H,29,32).

What are the key properties of N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 443.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 55750867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).