3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine

C15H9FN4 — CID 59797274

IUPAC3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine
SMILES[C-]#[N+]c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1
InChIInChI=1S/C15H9FN4/c1-17-14-8-7-13-15(18-14)12(19-20-13)6-5-10-3-2-4-11(16)9-10/h2-9H,(H,19,20)/b6-5+
InChIKeyJQWVHKZTLLGGSH-AATRIKPKSA-N
MW264.26 g/mol
LogP3.82
Rot. Bonds2

About 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine

3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine (PubChem CID 59797274) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine
PubChem CID59797274
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine
SMILES[C-]#[N+]c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1
InChIInChI=1S/C15H9FN4/c1-17-14-8-7-13-15(18-14)12(19-20-13)6-5-10-3-2-4-11(16)9-10/h2-9H,(H,19,20)/b6-5+
InChIKeyJQWVHKZTLLGGSH-AATRIKPKSA-N
XLogP3.82
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine (CID 59797274) is 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine is [C-]#[N+]c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1.
What is the InChIKey of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is JQWVHKZTLLGGSH-AATRIKPKSA-N. The full InChI is InChI=1S/C15H9FN4/c1-17-14-8-7-13-15(18-14)12(19-20-13)6-5-10-3-2-4-11(16)9-10/h2-9H,(H,19,20)/b6-5+.
What are the key properties of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine?
3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 264.26 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 59797274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).