4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C22H29N7O3 — CID 59828279

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)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-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 59828279) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)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-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• PubChem CID: 59828279
• Molecular Formula: C22H29N7O3
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.23
• IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCC3CCCCN3)c21
• InChI: InChI=1S/C22H29N7O3/c1-4-29-19-16(31-12-9-14-7-5-6-11-24-14)13-25-15(8-10-22(2,3)30)17(19)26-21(29)18-20(23)28-32-27-18/h13-14,24,30H,4-7,9,11-12H2,1-3H3,(H2,23,28)
• InChIKey: KGWARQIFTAZYDT-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 137.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	3
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-7-(2-piperidin-2-ylethoxy)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-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 59828279) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)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-7-(2-piperidin-2-ylethoxy)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-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCC3CCCCN3)c21.

What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The InChIKey is KGWARQIFTAZYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-4-29-19-16(31-12-9-14-7-5-6-11-24-14)13-25-15(8-10-22(2,3)30)17(19)26-21(29)18-20(23)28-32-27-18/h13-14,24,30H,4-7,9,11-12H2,1-3H3,(H2,23,28).

What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)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-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 439.52 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 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-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 59828279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).