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

C50H44F8N12 — CID 159373478

IUPAC(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@H]4c3cc(F)ccc3C(F)(F)F)nc2C)cn1.Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@H]4c3cc(F)ccc3C(F)(F)F)nc2C)cn1
InChIInChI=1S/2C25H22F4N6/c2*1-15-13-34(14-30-15)22-9-6-18(31-16(22)2)7-10-23-32-24-19(4-3-11-35(24)33-23)20-12-17(26)5-8-21(20)25(27,28)29/h2*5-10,12-14,19H,3-4,11H2,1-2H3/b2*10-7+/t2*19-/m10/s1
InChIKeyLKAITHHBHYKCLO-WUQZMFIQSA-N
MW964.97 g/mol
LogP11.46
Rot. Bonds8

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

(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 159373478) has the molecular formula C50H44F8N12 and a molecular weight of 964.97 g/mol. Its IUPAC name is (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-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(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID159373478
Molecular FormulaC50H44F8N12
Molecular Weight964.97 g/mol
Exact Mass964.37
IUPAC Name(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@H]4c3cc(F)ccc3C(F)(F)F)nc2C)cn1.Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@H]4c3cc(F)ccc3C(F)(F)F)nc2C)cn1
InChIInChI=1S/2C25H22F4N6/c2*1-15-13-34(14-30-15)22-9-6-18(31-16(22)2)7-10-23-32-24-19(4-3-11-35(24)33-23)20-12-17(26)5-8-21(20)25(27,28)29/h2*5-10,12-14,19H,3-4,11H2,1-2H3/b2*10-7+/t2*19-/m10/s1
InChIKeyLKAITHHBHYKCLO-WUQZMFIQSA-N
XLogP11.46
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.97
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

2-[2-[3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyridin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153166
2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 136627168
6-Methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 139326715
2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145968901
4-[4-[5-[(4-Fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032848
4-[4-[5-[2-(4-Fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032872
(1R)-1-(2,4-difluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032917
(1S)-1-(2,4-difluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032918
(1S)-2,2-difluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032942
US9725449, Example 264
CID 122686605
7-(4-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimidazo[l,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490623
7-(3-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimidazo[l,2-a]pyridin-6-yl)-[l,2,4]triazolo[l,5-c]pyrimidin-5-amine
CID 146490629

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-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 (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 159373478) is (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-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 (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-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 (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@H]4c3cc(F)ccc3C(F)(F)F)nc2C)cn1.Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@H]4c3cc(F)ccc3C(F)(F)F)nc2C)cn1.
What is the InChIKey of (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LKAITHHBHYKCLO-WUQZMFIQSA-N. The full InChI is InChI=1S/2C25H22F4N6/c2*1-15-13-34(14-30-15)22-9-6-18(31-16(22)2)7-10-23-32-24-19(4-3-11-35(24)33-23)20-12-17(26)5-8-21(20)25(27,28)29/h2*5-10,12-14,19H,3-4,11H2,1-2H3/b2*10-7+/t2*19-/m10/s1.
What are the key properties of (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-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 964.97 g/mol, XLogP of 11.46, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-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 159373478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).