8-[2-(difluoromethoxy)phenyl]-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

C25H24F2N6O2 — CID 66839183

IUPAC8-[2-(difluoromethoxy)phenyl]-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
SMILESCOc1nc(C=Cc2nc3n(n2)CCCC3c2ccccc2OC(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24F2N6O2/c1-16-14-32(15-28-16)20-11-9-17(29-24(20)34-2)10-12-22-30-23-19(7-5-13-33(23)31-22)18-6-3-4-8-21(18)35-25(26)27/h3-4,6,8-12,14-15,19,25H,5,7,13H2,1-2H3
InChIKeyROAUBKBAADIBFZ-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.87
Rot. Bonds7

About 8-[2-(difluoromethoxy)phenyl]-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

8-[2-(difluoromethoxy)phenyl]-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 (PubChem CID 66839183) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 8-[2-(difluoromethoxy)phenyl]-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.

Molecular Properties

Compound Name8-[2-(difluoromethoxy)phenyl]-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
PubChem CID66839183
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name8-[2-(difluoromethoxy)phenyl]-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
SMILESCOc1nc(C=Cc2nc3n(n2)CCCC3c2ccccc2OC(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24F2N6O2/c1-16-14-32(15-28-16)20-11-9-17(29-24(20)34-2)10-12-22-30-23-19(7-5-13-33(23)31-22)18-6-3-4-8-21(18)35-25(26)27/h3-4,6,8-12,14-15,19,25H,5,7,13H2,1-2H3
InChIKeyROAUBKBAADIBFZ-UHFFFAOYSA-N
XLogP4.87
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[2-(difluoromethoxy)phenyl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(difluoromethoxy)phenyl]-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?
The IUPAC name of 8-[2-(difluoromethoxy)phenyl]-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 66839183) is 8-[2-(difluoromethoxy)phenyl]-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.
What is the SMILES notation for 8-[2-(difluoromethoxy)phenyl]-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?
The canonical SMILES for 8-[2-(difluoromethoxy)phenyl]-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 is COc1nc(C=Cc2nc3n(n2)CCCC3c2ccccc2OC(F)F)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-[2-(difluoromethoxy)phenyl]-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?
The InChIKey is ROAUBKBAADIBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-16-14-32(15-28-16)20-11-9-17(29-24(20)34-2)10-12-22-30-23-19(7-5-13-33(23)31-22)18-6-3-4-8-21(18)35-25(26)27/h3-4,6,8-12,14-15,19,25H,5,7,13H2,1-2H3.
What are the key properties of 8-[2-(difluoromethoxy)phenyl]-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?
8-[2-(difluoromethoxy)phenyl]-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 has a molecular weight of 478.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(difluoromethoxy)phenyl]-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 is sourced from PubChem (CID 66839183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).