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

C23H20F4N6O — CID 142710498

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

8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 142710498) has the molecular formula C23H20F4N6O and a molecular weight of 472.45 g/mol. Its IUPAC name is 8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 142710498
• Molecular Formula: C23H20F4N6O
• Molecular Weight: 472.45 g/mol
• Exact Mass: 472.16
• IUPAC Name: 8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1nc(-c2nc3n(n2)CCC(c2ccc(C(F)(F)F)cc2)C3F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C23H20F4N6O/c1-13-11-32(12-28-13)18-8-7-17(29-22(18)34-2)20-30-21-19(24)16(9-10-33(21)31-20)14-3-5-15(6-4-14)23(25,26)27/h3-8,11-12,16,19H,9-10H2,1-2H3
• InChIKey: CUQMFAHSWFIYTH-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.45
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 142710498) is 8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for 8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2nc3n(n2)CCC(c2ccc(C(F)(F)F)cc2)C3F)ccc1-n1cnc(C)c1.

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

The InChIKey is CUQMFAHSWFIYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O/c1-13-11-32(12-28-13)18-8-7-17(29-22(18)34-2)20-30-21-19(24)16(9-10-33(21)31-20)14-3-5-15(6-4-14)23(25,26)27/h3-8,11-12,16,19H,9-10H2,1-2H3.

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

8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 472.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 142710498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).