3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol

C22H26ClN7O4 — CID 69299114

About 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol

3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol (PubChem CID 69299114) has the molecular formula C22H26ClN7O4 and a molecular weight of 487.95 g/mol. Its IUPAC name is 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol
• PubChem CID: 69299114
• Molecular Formula: C22H26ClN7O4
• Molecular Weight: 487.95 g/mol
• Exact Mass: 487.17
• IUPAC Name: 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(OCCCNCC(O)CO)c21
• InChI: InChI=1S/C22H26ClN7O4/c1-2-30-20-16(33-8-4-7-25-10-15(32)12-31)11-26-17(13-5-3-6-14(23)9-13)18(20)27-22(30)19-21(24)29-34-28-19/h3,5-6,9,11,15,25,31-32H,2,4,7-8,10,12H2,1H3,(H2,24,29)
• InChIKey: GCZZQVSYRILCEV-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 157.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.95
LogP ≤ 5	2.12
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 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol?

The IUPAC name of 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol (CID 69299114) is 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol.

What is the SMILES notation for 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol?

The canonical SMILES for 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol is CCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(OCCCNCC(O)CO)c21.

What is the InChIKey of 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol?

The InChIKey is GCZZQVSYRILCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7O4/c1-2-30-20-16(33-8-4-7-25-10-15(32)12-31)11-26-17(13-5-3-6-14(23)9-13)18(20)27-22(30)19-21(24)29-34-28-19/h3,5-6,9,11,15,25,31-32H,2,4,7-8,10,12H2,1H3,(H2,24,29).

What are the key properties of 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol?

3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol has a molecular weight of 487.95 g/mol, XLogP of 2.12, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol is sourced from PubChem (CID 69299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).