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

C25H21F2N7O — CID 66839654

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

8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 66839654) has the molecular formula C25H21F2N7O and a molecular weight of 473.49 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

• Compound Name: 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
• PubChem CID: 66839654
• Molecular Formula: C25H21F2N7O
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.18
• IUPAC Name: 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
• SMILES: COc1cc(/C=C/c2nc3n(n2)CCCC3(C#N)c2ccc(F)c(F)c2)cnc1-n1cnc(C)c1
• InChI: InChI=1S/C25H21F2N7O/c1-16-13-33(15-30-16)23-21(35-2)10-17(12-29-23)4-7-22-31-24-25(14-28,8-3-9-34(24)32-22)18-5-6-19(26)20(27)11-18/h4-7,10-13,15H,3,8-9H2,1-2H3/b7-4+
• InChIKey: OJGUIKAOHCJYPX-QPJJXVBHSA-N
• XLogP: 4.23
• TPSA: 94.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?

The IUPAC name of 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 66839654) is 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

What is the SMILES notation for 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?

The canonical SMILES for 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is COc1cc(/C=C/c2nc3n(n2)CCCC3(C#N)c2ccc(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]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?

The InChIKey is OJGUIKAOHCJYPX-QPJJXVBHSA-N. The full InChI is InChI=1S/C25H21F2N7O/c1-16-13-33(15-30-16)23-21(35-2)10-17(12-29-23)4-7-22-31-24-25(14-28,8-3-9-34(24)32-22)18-5-6-19(26)20(27)11-18/h4-7,10-13,15H,3,8-9H2,1-2H3/b7-4+.

What are the key properties of 8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?

8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 473.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 66839654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).