(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C46H40F8N12O2 — CID 157372638

About (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157372638) has the molecular formula C46H40F8N12O2 and a molecular weight of 944.89 g/mol. Its IUPAC name is (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 157372638
• Molecular Formula: C46H40F8N12O2
• Molecular Weight: 944.89 g/mol
• Exact Mass: 944.33
• IUPAC Name: (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1nc(-c2nc3n(n2)CCC[C@@H]3c2cc(F)ccc2C(F)(F)F)ccc1-n1cnc(C)c1.COc1nc(-c2nc3n(n2)CCC[C@H]3c2cc(F)ccc2C(F)(F)F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/2C23H20F4N6O/c2*1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-15(4-3-9-33(21)31-20)16-10-14(24)5-6-17(16)23(25,26)27/h2*5-8,10-12,15H,3-4,9H2,1-2H3/t2*15-/m10/s1
• InChIKey: BJYFKSIYWSAHSP-ZWZQDMJTSA-N
• XLogP: 9.85
• TPSA: 141.30 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.89
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 157372638) is (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2nc3n(n2)CCC[C@@H]3c2cc(F)ccc2C(F)(F)F)ccc1-n1cnc(C)c1.COc1nc(-c2nc3n(n2)CCC[C@H]3c2cc(F)ccc2C(F)(F)F)ccc1-n1cnc(C)c1.

What is the InChIKey of (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is BJYFKSIYWSAHSP-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C23H20F4N6O/c2*1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-15(4-3-9-33(21)31-20)16-10-14(24)5-6-17(16)23(25,26)27/h2*5-8,10-12,15H,3-4,9H2,1-2H3/t2*15-/m10/s1.

What are the key properties of (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 944.89 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157372638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).