8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C24H21F4N5O2 — CID 66857592

About 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66857592) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 66857592
• Molecular Formula: C24H21F4N5O2
• Molecular Weight: 487.46 g/mol
• Exact Mass: 487.16
• IUPAC Name: 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2nc3n(n2)CCCC3c2cc(OC(F)(F)F)ccc2F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H21F4N5O2/c1-14-12-32(13-29-14)20-8-5-15(10-21(20)34-2)22-30-23-17(4-3-9-33(23)31-22)18-11-16(6-7-19(18)25)35-24(26,27)28/h5-8,10-13,17H,3-4,9H2,1-2H3
• InChIKey: QOPWDDBWCWHJDP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 66.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.46
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66857592) is 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2nc3n(n2)CCCC3c2cc(OC(F)(F)F)ccc2F)ccc1-n1cnc(C)c1.

What is the InChIKey of 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is QOPWDDBWCWHJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-14-12-32(13-29-14)20-8-5-15(10-21(20)34-2)22-30-23-17(4-3-9-33(23)31-22)18-11-16(6-7-19(18)25)35-24(26,27)28/h5-8,10-13,17H,3-4,9H2,1-2H3.

What are the key properties of 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 487.46 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66857592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).