2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid

C23H26F3N7O5 — CID 69298101

About 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid

2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 69298101) has the molecular formula C23H26F3N7O5 and a molecular weight of 537.50 g/mol. Its IUPAC name is 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid
• PubChem CID: 69298101
• Molecular Formula: C23H26F3N7O5
• Molecular Weight: 537.50 g/mol
• Exact Mass: 537.19
• IUPAC Name: 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCNCCO)c21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H25N7O3.C2HF3O2/c1-2-28-19-15(30-12-6-9-23-10-11-29)13-24-16(14-7-4-3-5-8-14)17(19)25-21(28)18-20(22)27-31-26-18;3-2(4,5)1(6)7/h3-5,7-8,13,23,29H,2,6,9-12H2,1H3,(H2,22,27);(H,6,7)
• InChIKey: FZMRZCVZRSTZOL-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 174.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.50
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid (CID 69298101) is 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCNCCO)c21.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid?

The InChIKey is FZMRZCVZRSTZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3.C2HF3O2/c1-2-28-19-15(30-12-6-9-23-10-11-29)13-24-16(14-7-4-3-5-8-14)17(19)25-21(28)18-20(22)27-31-26-18;3-2(4,5)1(6)7/h3-5,7-8,13,23,29H,2,6,9-12H2,1H3,(H2,22,27);(H,6,7).

What are the key properties of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid?

2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 537.50 g/mol, XLogP of 2.73, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69298101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).