2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine

C23H18F4N4O2 — CID 146407295

About 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine

2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 146407295) has the molecular formula C23H18F4N4O2 and a molecular weight of 458.42 g/mol. Its IUPAC name is 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine
• PubChem CID: 146407295
• Molecular Formula: C23H18F4N4O2
• Molecular Weight: 458.42 g/mol
• Exact Mass: 458.14
• IUPAC Name: 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine
• SMILES: COc1cc(O[C@H](C)c2ccc(C(F)(F)F)nc2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1
• InChI: InChI=1S/C23H18F4N4O2/c1-13(14-3-7-20(28-10-14)23(25,26)27)33-16-5-6-17(19(9-16)32-2)18-12-30-22(31-18)15-4-8-21(24)29-11-15/h3-13H,1-2H3,(H,30,31)/t13-/m1/s1
• InChIKey: HTNQIISPUKSJRM-CYBMUJFWSA-N
• XLogP: 5.84
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.42
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine?

The IUPAC name of 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine (CID 146407295) is 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine.

What is the SMILES notation for 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine?

The canonical SMILES for 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine is COc1cc(O[C@H](C)c2ccc(C(F)(F)F)nc2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1.

What is the InChIKey of 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine?

The InChIKey is HTNQIISPUKSJRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H18F4N4O2/c1-13(14-3-7-20(28-10-14)23(25,26)27)33-16-5-6-17(19(9-16)32-2)18-12-30-22(31-18)15-4-8-21(24)29-11-15/h3-13H,1-2H3,(H,30,31)/t13-/m1/s1.

What are the key properties of 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine?

2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 458.42 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[5-[2-methoxy-4-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 146407295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).