N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide

C23H28N8O4 — CID 69296531

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide (PubChem CID 69296531) has the molecular formula C23H28N8O4 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide.

Molecular Properties

• Compound Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide
• PubChem CID: 69296531
• Molecular Formula: C23H28N8O4
• Molecular Weight: 480.53 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3cccc(NC(=O)CCOC)c3)ncc(OCCCN)c21
• InChI: InChI=1S/C23H28N8O4/c1-3-31-21-16(34-10-5-9-24)13-26-18(19(21)28-23(31)20-22(25)30-35-29-20)14-6-4-7-15(12-14)27-17(32)8-11-33-2/h4,6-7,12-13H,3,5,8-11,24H2,1-2H3,(H2,25,30)(H,27,32)
• InChIKey: BJBWIKBSAKVJLO-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 169.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.53
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
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 N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide?

The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide (CID 69296531) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide.

What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide?

The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide is CCn1c(-c2nonc2N)nc2c(-c3cccc(NC(=O)CCOC)c3)ncc(OCCCN)c21.

What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide?

The InChIKey is BJBWIKBSAKVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O4/c1-3-31-21-16(34-10-5-9-24)13-26-18(19(21)28-23(31)20-22(25)30-35-29-20)14-6-4-7-15(12-14)27-17(32)8-11-33-2/h4,6-7,12-13H,3,5,8-11,24H2,1-2H3,(H2,25,30)(H,27,32).

What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide?

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide has a molecular weight of 480.53 g/mol, XLogP of 2.45, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide is sourced from PubChem (CID 69296531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).