5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol

C17H15FN4O2 — CID 155041583

IUPAC5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cnc(F)c(OC)c3)cc2O)nn1
InChIInChI=1S/C17H15FN4O2/c1-19-16-6-5-13(21-22-16)12-4-3-10(7-14(12)23)11-8-15(24-2)17(18)20-9-11/h3-9,23H,1-2H3,(H,19,22)
InChIKeyVNTKRFXVXJPGOI-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.10
Rot. Bonds4

About 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol

5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol (PubChem CID 155041583) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
PubChem CID155041583
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cnc(F)c(OC)c3)cc2O)nn1
InChIInChI=1S/C17H15FN4O2/c1-19-16-6-5-13(21-22-16)12-4-3-10(7-14(12)23)11-8-15(24-2)17(18)20-9-11/h3-9,23H,1-2H3,(H,19,22)
InChIKeyVNTKRFXVXJPGOI-UHFFFAOYSA-N
XLogP3.10
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol 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-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The IUPAC name of 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol (CID 155041583) is 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The canonical SMILES for 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol is CNc1ccc(-c2ccc(-c3cnc(F)c(OC)c3)cc2O)nn1.
What is the InChIKey of 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The InChIKey is VNTKRFXVXJPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-19-16-6-5-13(21-22-16)12-4-3-10(7-14(12)23)11-8-15(24-2)17(18)20-9-11/h3-9,23H,1-2H3,(H,19,22).
What are the key properties of 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol has a molecular weight of 326.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol is sourced from PubChem (CID 155041583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).