4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C23H27N7O4 — CID 68872168

About 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 68872168) has the molecular formula C23H27N7O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

• Compound Name: 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
• PubChem CID: 68872168
• Molecular Formula: C23H27N7O4
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.21
• IUPAC Name: 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
• SMILES: CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(OCCCN4CCOCC4)c3)cc21
• InChI: InChI=1S/C23H27N7O4/c1-2-30-19-14-20(25-15-18(19)26-23(30)21-22(24)28-34-27-21)33-17-6-3-5-16(13-17)32-10-4-7-29-8-11-31-12-9-29/h3,5-6,13-15H,2,4,7-12H2,1H3,(H2,24,28)
• InChIKey: WSFCREXJHNUTND-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 126.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
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 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The IUPAC name of 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 68872168) is 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

What is the SMILES notation for 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The canonical SMILES for 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(OCCCN4CCOCC4)c3)cc21.

What is the InChIKey of 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The InChIKey is WSFCREXJHNUTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4/c1-2-30-19-14-20(25-15-18(19)26-23(30)21-22(24)28-34-27-21)33-17-6-3-5-16(13-17)32-10-4-7-29-8-11-31-12-9-29/h3,5-6,13-15H,2,4,7-12H2,1H3,(H2,24,28).

What are the key properties of 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 465.51 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 68872168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).