8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C25H23F2N5O2 — CID 25212805

IUPAC8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3(O)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23F2N5O2/c1-16-14-31(15-28-16)21-6-4-17(10-22(21)34-2)5-7-23-29-24-25(33,8-3-9-32(24)30-23)18-11-19(26)13-20(27)12-18/h4-7,10-15,33H,3,8-9H2,1-2H3/b7-5+
InChIKeyACOUMQHCZVAPBW-FNORWQNLSA-N
MW463.49 g/mol
LogP4.26
Rot. Bonds5

About 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol

8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 25212805) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID25212805
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3(O)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23F2N5O2/c1-16-14-31(15-28-16)21-6-4-17(10-22(21)34-2)5-7-23-29-24-25(33,8-3-9-32(24)30-23)18-11-19(26)13-20(27)12-18/h4-7,10-15,33H,3,8-9H2,1-2H3/b7-5+
InChIKeyACOUMQHCZVAPBW-FNORWQNLSA-N
XLogP4.26
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 25212805) is 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol is COc1cc(/C=C/c2nc3n(n2)CCCC3(O)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is ACOUMQHCZVAPBW-FNORWQNLSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-16-14-31(15-28-16)21-6-4-17(10-22(21)34-2)5-7-23-29-24-25(33,8-3-9-32(24)30-23)18-11-19(26)13-20(27)12-18/h4-7,10-15,33H,3,8-9H2,1-2H3/b7-5+.
What are the key properties of 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 463.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 25212805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).