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

C25H24F3N5O — CID 66857040

About (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(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-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66857040) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 66857040
• Molecular Formula: C25H24F3N5O
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.19
• IUPAC Name: (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2nc3n(n2)CCC[C@H]3c2cc(C(F)(F)F)ccc2C)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H24F3N5O/c1-15-6-8-18(25(26,27)28)12-20(15)19-5-4-10-33-24(19)30-23(31-33)17-7-9-21(22(11-17)34-3)32-13-16(2)29-14-32/h6-9,11-14,19H,4-5,10H2,1-3H3/t19-/m0/s1
• InChIKey: ZBIJBJAKPCOPME-IBGZPJMESA-N
• XLogP: 5.70
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66857040) is (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2nc3n(n2)CCC[C@H]3c2cc(C(F)(F)F)ccc2C)ccc1-n1cnc(C)c1.

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

The InChIKey is ZBIJBJAKPCOPME-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-15-6-8-18(25(26,27)28)12-20(15)19-5-4-10-33-24(19)30-23(31-33)17-7-9-21(22(11-17)34-3)32-13-16(2)29-14-32/h6-9,11-14,19H,4-5,10H2,1-3H3/t19-/m0/s1.

What are the key properties of (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(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-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 467.50 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66857040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).