2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C18H17F4N5 — CID 173049031

IUPAC2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1=CN(C=Cc2nc3n(n2)CCCC3c2cc(F)c(F)c(F)c2)CN1F
InChIInChI=1S/C18H17F4N5/c1-11-9-25(10-26(11)22)6-4-16-23-18-13(3-2-5-27(18)24-16)12-7-14(19)17(21)15(20)8-12/h4,6-9,13H,2-3,5,10H2,1H3
InChIKeyLNNHTHKPUSMNKG-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.91
Rot. Bonds3

About 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 173049031) has the molecular formula C18H17F4N5 and a molecular weight of 379.36 g/mol. Its IUPAC name is 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID173049031
Molecular FormulaC18H17F4N5
Molecular Weight379.36 g/mol
Exact Mass379.14
IUPAC Name2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1=CN(C=Cc2nc3n(n2)CCCC3c2cc(F)c(F)c(F)c2)CN1F
InChIInChI=1S/C18H17F4N5/c1-11-9-25(10-26(11)22)6-4-16-23-18-13(3-2-5-27(18)24-16)12-7-14(19)17(21)15(20)8-12/h4,6-9,13H,2-3,5,10H2,1H3
InChIKeyLNNHTHKPUSMNKG-UHFFFAOYSA-N
XLogP3.91
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 143770238
(8R)-8-(3,5-difluorophenyl)-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 58105138
(7S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;(7R)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 159131783
(8S)-8-(4-fluoro-3-methylphenyl)-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 58105193
8-(3,4-difluorophenyl)-2-[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 66839336
8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 67132297
(8S)-8-(4-fluoro-3-methylphenyl)-2-[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 90832298
(8S)-8-(2,3-difluorophenyl)-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-(2,3-difluorophenyl)-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 158081913
(8R)-8-(4-chlorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299770
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 24853006
(8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143770147
2-bromo-9-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 142606898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 173049031) is 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC1=CN(C=Cc2nc3n(n2)CCCC3c2cc(F)c(F)c(F)c2)CN1F.
What is the InChIKey of 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LNNHTHKPUSMNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N5/c1-11-9-25(10-26(11)22)6-4-16-23-18-13(3-2-5-27(18)24-16)12-7-14(19)17(21)15(20)8-12/h4,6-9,13H,2-3,5,10H2,1H3.
What are the key properties of 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 379.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-4-methyl-2H-imidazol-1-yl)ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 173049031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).