4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C23H24N6O4 — CID 69108253

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 69108253) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• PubChem CID: 69108253
• Molecular Formula: C23H24N6O4
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.19
• IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCc3ccc(OC)cc3)cc21
• InChI: InChI=1S/C23H24N6O4/c1-5-29-17-12-18(32-13-14-6-8-15(31-4)9-7-14)25-16(10-11-23(2,3)30)19(17)26-22(29)20-21(24)28-33-27-20/h6-9,12,30H,5,13H2,1-4H3,(H2,24,28)
• InChIKey: WCMPOLYLANMVSD-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 134.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 69108253) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

What is the SMILES notation for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The canonical SMILES for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCc3ccc(OC)cc3)cc21.

What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The InChIKey is WCMPOLYLANMVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-5-29-17-12-18(32-13-14-6-8-15(31-4)9-7-14)25-16(10-11-23(2,3)30)19(17)26-22(29)20-21(24)28-33-27-20/h6-9,12,30H,5,13H2,1-4H3,(H2,24,28).

What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 448.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 69108253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).