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

C26H33ClN8O2 — CID 69296506

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

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride (PubChem CID 69296506) has the molecular formula C26H33ClN8O2 and a molecular weight of 525.06 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-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-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride
• PubChem CID: 69296506
• Molecular Formula: C26H33ClN8O2
• Molecular Weight: 525.06 g/mol
• Exact Mass: 524.24
• IUPAC Name: 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NCCCN3CCCCC3C)c21.Cl
• InChI: InChI=1S/C26H32N8O2.ClH/c1-3-34-23-19(26(35)28-13-9-15-33-14-8-7-10-17(33)2)16-29-20(18-11-5-4-6-12-18)21(23)30-25(34)22-24(27)32-36-31-22;/h4-6,11-12,16-17H,3,7-10,13-15H2,1-2H3,(H2,27,32)(H,28,35);1H
• InChIKey: FICAGSFJVORZQG-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 127.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.06
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(2-methylpiperidin-1-yl)propyl]-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-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride (CID 69296506) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-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-(2-methylpiperidin-1-yl)propyl]-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-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NCCCN3CCCCC3C)c21.Cl.

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

The InChIKey is FICAGSFJVORZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2.ClH/c1-3-34-23-19(26(35)28-13-9-15-33-14-8-7-10-17(33)2)16-29-20(18-11-5-4-6-12-18)21(23)30-25(34)22-24(27)32-36-31-22;/h4-6,11-12,16-17H,3,7-10,13-15H2,1-2H3,(H2,27,32)(H,28,35);1H.

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

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride has a molecular weight of 525.06 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride is sourced from PubChem (CID 69296506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).