5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile

C17H14FN5O2 — CID 138486728

IUPAC5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile
SMILESCn1nccc1-c1cc(OCCOc2ncc(C#N)cc2F)ccn1
InChIInChI=1S/C17H14FN5O2/c1-23-16(3-5-22-23)15-9-13(2-4-20-15)24-6-7-25-17-14(18)8-12(10-19)11-21-17/h2-5,8-9,11H,6-7H2,1H3
InChIKeyGWECOZCUPZHIJC-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.35
Rot. Bonds6

About 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile

5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile (PubChem CID 138486728) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile
PubChem CID138486728
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile
SMILESCn1nccc1-c1cc(OCCOc2ncc(C#N)cc2F)ccn1
InChIInChI=1S/C17H14FN5O2/c1-23-16(3-5-22-23)15-9-13(2-4-20-15)24-6-7-25-17-14(18)8-12(10-19)11-21-17/h2-5,8-9,11H,6-7H2,1H3
InChIKeyGWECOZCUPZHIJC-UHFFFAOYSA-N
XLogP2.35
TPSA85.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile (CID 138486728) is 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile is Cn1nccc1-c1cc(OCCOc2ncc(C#N)cc2F)ccn1.
What is the InChIKey of 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile?
The InChIKey is GWECOZCUPZHIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-23-16(3-5-22-23)15-9-13(2-4-20-15)24-6-7-25-17-14(18)8-12(10-19)11-21-17/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile?
5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile has a molecular weight of 339.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 138486728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).