fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C25H25F2N5O2 — CID 143535405

IUPACfluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1cc(/C=C(\F)c2nc3n(n2)CCC[C@H]3O)ccc1-n1cnc(C)c1.Fc1ccccc1
InChIInChI=1S/C19H20FN5O2.C6H5F/c1-12-10-24(11-21-12)15-6-5-13(9-17(15)27-2)8-14(20)18-22-19-16(26)4-3-7-25(19)23-18;7-6-4-2-1-3-5-6/h5-6,8-11,16,26H,3-4,7H2,1-2H3;1-5H/b14-8-;/t16-;/m1./s1
InChIKeyURWIRAFRVSVYAG-BOVIILNCSA-N
MW465.50 g/mol
LogP4.90
Rot. Bonds4

About fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol

fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 143535405) has the molecular formula C25H25F2N5O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Namefluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID143535405
Molecular FormulaC25H25F2N5O2
Molecular Weight465.50 g/mol
Exact Mass465.20
IUPAC Namefluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1cc(/C=C(\F)c2nc3n(n2)CCC[C@H]3O)ccc1-n1cnc(C)c1.Fc1ccccc1
InChIInChI=1S/C19H20FN5O2.C6H5F/c1-12-10-24(11-21-12)15-6-5-13(9-17(15)27-2)8-14(20)18-22-19-16(26)4-3-7-25(19)23-18;7-6-4-2-1-3-5-6/h5-6,8-11,16,26H,3-4,7H2,1-2H3;1-5H/b14-8-;/t16-;/m1./s1
InChIKeyURWIRAFRVSVYAG-BOVIILNCSA-N
XLogP4.90
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol with MolForge

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Related Compounds

(E)-2-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 66838905
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839114
(8R)-8-cyclohexyl-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;(8S)-8-cyclohexyl-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 161065367
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
8-cyclopropyl-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839149
1-[4-[(8R)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-1-yl]ethanone
CID 90843935
(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159586904
8-benzylidene-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 76624821
(8S)-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-8-carbonitrile
CID 143770172
(8R)-8-(1-benzylpiperidin-4-yl)-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;(8S)-8-(1-benzylpiperidin-4-yl)-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 162069470
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(2-nitrosophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 88945139
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(methoxymethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839286

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 143535405) is fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is COc1cc(/C=C(\F)c2nc3n(n2)CCC[C@H]3O)ccc1-n1cnc(C)c1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is URWIRAFRVSVYAG-BOVIILNCSA-N. The full InChI is InChI=1S/C19H20FN5O2.C6H5F/c1-12-10-24(11-21-12)15-6-5-13(9-17(15)27-2)8-14(20)18-22-19-16(26)4-3-7-25(19)23-18;7-6-4-2-1-3-5-6/h5-6,8-11,16,26H,3-4,7H2,1-2H3;1-5H/b14-8-;/t16-;/m1./s1.
What are the key properties of fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 465.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;(8R)-2-[(Z)-1-fluoro-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 143535405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).