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

C25H22F4N6O — CID 25210891

IUPAC(8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2C(F)(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22F4N6O/c1-15-13-34(14-30-15)21-9-6-17(31-24(21)36-2)7-10-22-32-23-19(4-3-11-35(23)33-22)18-8-5-16(26)12-20(18)25(27,28)29/h5-10,12-14,19H,3-4,11H2,1-2H3/b10-7+/t19-/m0/s1
InChIKeyRJWHVEJKOOISBT-VQFGERMISA-N
MW498.48 g/mol
LogP5.43
Rot. Bonds5

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

(8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 25210891) has the molecular formula C25H22F4N6O and a molecular weight of 498.48 g/mol. Its IUPAC name is (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID25210891
Molecular FormulaC25H22F4N6O
Molecular Weight498.48 g/mol
Exact Mass498.18
IUPAC Name(8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2C(F)(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22F4N6O/c1-15-13-34(14-30-15)21-9-6-17(31-24(21)36-2)7-10-22-32-23-19(4-3-11-35(23)33-22)18-8-5-16(26)12-20(18)25(27,28)29/h5-10,12-14,19H,3-4,11H2,1-2H3/b10-7+/t19-/m0/s1
InChIKeyRJWHVEJKOOISBT-VQFGERMISA-N
XLogP5.43
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

E-2212
CID 46854987
Methyl substituted pyrazole, 27
CID 23648674
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
CID 18406840
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406877
3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406904
7-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406905

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 25210891) is (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2C(F)(F)F)ccc1-n1cnc(C)c1.
What is the InChIKey of (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RJWHVEJKOOISBT-VQFGERMISA-N. The full InChI is InChI=1S/C25H22F4N6O/c1-15-13-34(14-30-15)21-9-6-17(31-24(21)36-2)7-10-22-32-23-19(4-3-11-35(23)33-22)18-8-5-16(26)12-20(18)25(27,28)29/h5-10,12-14,19H,3-4,11H2,1-2H3/b10-7+/t19-/m0/s1.
What are the key properties of (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
(8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 498.48 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 25210891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).