(8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C48H44F6N10O2 — CID 160952882

About (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 160952882) has the molecular formula C48H44F6N10O2 and a molecular weight of 906.94 g/mol. Its IUPAC name is (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 160952882
• Molecular Formula: C48H44F6N10O2
• Molecular Weight: 906.94 g/mol
• Exact Mass: 906.36
• IUPAC Name: (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/2C24H22F3N5O/c2*1-15-13-31(14-28-15)20-10-9-16(12-21(20)33-2)22-29-23-18(7-5-11-32(23)30-22)17-6-3-4-8-19(17)24(25,26)27/h2*3-4,6,8-10,12-14,18H,5,7,11H2,1-2H3/t2*18-/m10/s1
• InChIKey: SVZOONTVNOMWGU-JJMXQKMNSA-N
• XLogP: 10.78
• TPSA: 115.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	906.94
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 160952882) is (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.

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

The InChIKey is SVZOONTVNOMWGU-JJMXQKMNSA-N. The full InChI is InChI=1S/2C24H22F3N5O/c2*1-15-13-31(14-28-15)20-10-9-16(12-21(20)33-2)22-29-23-18(7-5-11-32(23)30-22)17-6-3-4-8-19(17)24(25,26)27/h2*3-4,6,8-10,12-14,18H,5,7,11H2,1-2H3/t2*18-/m10/s1.

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

(8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 906.94 g/mol, XLogP of 10.78, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 160952882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).