2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride

C24H29ClN8O3 — CID 69298100

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride (PubChem CID 69298100) has the molecular formula C24H29ClN8O3 and a molecular weight of 513.00 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride
• PubChem CID: 69298100
• Molecular Formula: C24H29ClN8O3
• Molecular Weight: 513.00 g/mol
• Exact Mass: 512.21
• IUPAC Name: 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NCCCN3CCOCC3)c21.Cl
• InChI: InChI=1S/C24H28N8O3.ClH/c1-2-32-21-17(24(33)26-9-6-10-31-11-13-34-14-12-31)15-27-18(16-7-4-3-5-8-16)19(21)28-23(32)20-22(25)30-35-29-20;/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,25,30)(H,26,33);1H
• InChIKey: JGDGDXINSXWERX-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 137.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.00
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride?

The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride (CID 69298100) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride.

What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride?

The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NCCCN3CCOCC3)c21.Cl.

What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride?

The InChIKey is JGDGDXINSXWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3.ClH/c1-2-32-21-17(24(33)26-9-6-10-31-11-13-34-14-12-31)15-27-18(16-7-4-3-5-8-16)19(21)28-23(32)20-22(25)30-35-29-20;/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,25,30)(H,26,33);1H.

What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride?

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride has a molecular weight of 513.00 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride is sourced from PubChem (CID 69298100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).