(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

C25H22F4N6 — CID 58105083

IUPAC(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
InChIInChI=1S/C25H22F4N6/c1-15-13-34(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/h5-10,12-14,19H,3-4,11H2,1-2H3/b10-7+/t19-/m0/s1
InChIKeyHKNNKGGMUKSMSI-VQFGERMISA-N
MW482.49 g/mol
LogP5.73
Rot. Bonds4

About (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

(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 58105083) has the molecular formula C25H22F4N6 and a molecular weight of 482.49 g/mol. Its IUPAC name is (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(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 CID58105083
Molecular FormulaC25H22F4N6
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name(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
InChIInChI=1S/C25H22F4N6/c1-15-13-34(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/h5-10,12-14,19H,3-4,11H2,1-2H3/b10-7+/t19-/m0/s1
InChIKeyHKNNKGGMUKSMSI-VQFGERMISA-N
XLogP5.73
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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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Frequently Asked Questions

What is the IUPAC name of (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 (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 58105083) is (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 (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 (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.
What is the InChIKey of (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 HKNNKGGMUKSMSI-VQFGERMISA-N. The full InChI is InChI=1S/C25H22F4N6/c1-15-13-34(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/h5-10,12-14,19H,3-4,11H2,1-2H3/b10-7+/t19-/m0/s1.
What are the key properties of (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?
(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 482.49 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 58105083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).