7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol

C23H19ClN9O2+ — CID 122632675

About 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol

7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol (PubChem CID 122632675) has the molecular formula C23H19ClN9O2+ and a molecular weight of 488.92 g/mol. Its IUPAC name is 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol.

Molecular Properties

• Compound Name: 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol
• PubChem CID: 122632675
• Molecular Formula: C23H19ClN9O2+
• Molecular Weight: 488.92 g/mol
• Exact Mass: 488.13
• IUPAC Name: 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol
• SMILES: Nc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)c[n+](O)c43)[nH]2)cn1
• InChI: InChI=1S/C23H19ClN9O2/c24-16-2-3-19(32-12-28-30-31-32)17(8-16)15-7-13-5-6-23(34,21(13)33(35)11-15)22-27-10-18(29-22)14-1-4-20(25)26-9-14/h1-4,7-12,34-35H,5-6H2,(H2,25,26)(H,27,29)/q+1
• InChIKey: HYEGJROLEZUMEQ-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 155.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.92
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol?

The IUPAC name of 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol (CID 122632675) is 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol.

What is the SMILES notation for 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol?

The canonical SMILES for 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol is Nc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)c[n+](O)c43)[nH]2)cn1.

What is the InChIKey of 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol?

The InChIKey is HYEGJROLEZUMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN9O2/c24-16-2-3-19(32-12-28-30-31-32)17(8-16)15-7-13-5-6-23(34,21(13)33(35)11-15)22-27-10-18(29-22)14-1-4-20(25)26-9-14/h1-4,7-12,34-35H,5-6H2,(H2,25,26)(H,27,29)/q+1.

What are the key properties of 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol?

7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol has a molecular weight of 488.92 g/mol, XLogP of 2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol is sourced from PubChem (CID 122632675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).