1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one

C23H19ClFN9O2 — CID 155678306

About 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one

1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one (PubChem CID 155678306) has the molecular formula C23H19ClFN9O2 and a molecular weight of 507.92 g/mol. Its IUPAC name is 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
• PubChem CID: 155678306
• Molecular Formula: C23H19ClFN9O2
• Molecular Weight: 507.92 g/mol
• Exact Mass: 507.13
• IUPAC Name: 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
• SMILES: COc1cn(C(C)c2ncc(-c3ccc(N)nc3F)[nH]2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
• InChI: InChI=1S/C23H19ClFN9O2/c1-12(23-27-9-17(29-23)14-4-6-20(26)30-22(14)25)33-10-19(36-2)16(8-21(33)35)15-7-13(24)3-5-18(15)34-11-28-31-32-34/h3-12H,1-2H3,(H2,26,30)(H,27,29)
• InChIKey: MWHBVZBGNJVRMS-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 142.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.92
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?

The IUPAC name of 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one (CID 155678306) is 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one.

What is the SMILES notation for 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?

The canonical SMILES for 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one is COc1cn(C(C)c2ncc(-c3ccc(N)nc3F)[nH]2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1.

What is the InChIKey of 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?

The InChIKey is MWHBVZBGNJVRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN9O2/c1-12(23-27-9-17(29-23)14-4-6-20(26)30-22(14)25)33-10-19(36-2)16(8-21(33)35)15-7-13(24)3-5-18(15)34-11-28-31-32-34/h3-12H,1-2H3,(H2,26,30)(H,27,29).

What are the key properties of 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?

1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one has a molecular weight of 507.92 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one is sourced from PubChem (CID 155678306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).