(8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

C23H19F5N6O — CID 70226905

About (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

(8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 70226905) has the molecular formula C23H19F5N6O and a molecular weight of 490.44 g/mol. Its IUPAC name is (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 70226905
• Molecular Formula: C23H19F5N6O
• Molecular Weight: 490.44 g/mol
• Exact Mass: 490.15
• IUPAC Name: (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1nc(-c2nc3n(n2)CC(F)(F)C[C@@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C23H19F5N6O/c1-13-10-33(12-29-13)18-8-7-17(30-21(18)35-2)19-31-20-15(9-22(24,25)11-34(20)32-19)14-5-3-4-6-16(14)23(26,27)28/h3-8,10,12,15H,9,11H2,1-2H3/t15-/m1/s1
• InChIKey: KHGWITSEUVAHEY-OAHLLOKOSA-N
• XLogP: 5.03
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.44
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (CID 70226905) is (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2nc3n(n2)CC(F)(F)C[C@@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.

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

The InChIKey is KHGWITSEUVAHEY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19F5N6O/c1-13-10-33(12-29-13)18-8-7-17(30-21(18)35-2)19-31-20-15(9-22(24,25)11-34(20)32-19)14-5-3-4-6-16(14)23(26,27)28/h3-8,10,12,15H,9,11H2,1-2H3/t15-/m1/s1.

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

(8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 490.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 70226905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).