3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine

C14H11FN4 — CID 68926739

IUPAC3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine
SMILESNc1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C14H11FN4/c15-10-4-1-9(2-5-10)3-6-11-14-12(19-18-11)7-8-13(16)17-14/h1-8H,(H2,16,17)(H,18,19)
InChIKeyAPUIQLUXJRZSQS-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.85
Rot. Bonds2

About 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine

3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine (PubChem CID 68926739) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine
PubChem CID68926739
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine
SMILESNc1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C14H11FN4/c15-10-4-1-9(2-5-10)3-6-11-14-12(19-18-11)7-8-13(16)17-14/h1-8H,(H2,16,17)(H,18,19)
InChIKeyAPUIQLUXJRZSQS-UHFFFAOYSA-N
XLogP2.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine (CID 68926739) is 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine is Nc1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine?
The InChIKey is APUIQLUXJRZSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-10-4-1-9(2-5-10)3-6-11-14-12(19-18-11)7-8-13(16)17-14/h1-8H,(H2,16,17)(H,18,19).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine?
3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine has a molecular weight of 254.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine is sourced from PubChem (CID 68926739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).