8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C24H22F2N6O — CID 25213310

IUPAC8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3c2ccc(F)c(F)c2)cnc1-n1cnc(C)c1
InChIInChI=1S/C24H22F2N6O/c1-15-13-31(14-28-15)24-21(33-2)10-16(12-27-24)5-8-22-29-23-18(4-3-9-32(23)30-22)17-6-7-19(25)20(26)11-17/h5-8,10-14,18H,3-4,9H2,1-2H3/b8-5+
InChIKeyLAYKCYRBEORVKK-VMPITWQZSA-N
MW448.48 g/mol
LogP4.55
Rot. Bonds5

About 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 25213310) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID25213310
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3c2ccc(F)c(F)c2)cnc1-n1cnc(C)c1
InChIInChI=1S/C24H22F2N6O/c1-15-13-31(14-28-15)24-21(33-2)10-16(12-27-24)5-8-22-29-23-18(4-3-9-32(23)30-22)17-6-7-19(25)20(26)11-17/h5-8,10-14,18H,3-4,9H2,1-2H3/b8-5+
InChIKeyLAYKCYRBEORVKK-VMPITWQZSA-N
XLogP4.55
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-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-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 25213310) is 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(/C=C/c2nc3n(n2)CCCC3c2ccc(F)c(F)c2)cnc1-n1cnc(C)c1.
What is the InChIKey of 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LAYKCYRBEORVKK-VMPITWQZSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-15-13-31(14-28-15)24-21(33-2)10-16(12-27-24)5-8-22-29-23-18(4-3-9-32(23)30-22)17-6-7-19(25)20(26)11-17/h5-8,10-14,18H,3-4,9H2,1-2H3/b8-5+.
What are the key properties of 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 448.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 25213310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).