2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine

C15H19FN4O — CID 172892945

IUPAC2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCn1ccc(CN2CCC(Oc3cccc(F)n3)CC2)n1
InChIInChI=1S/C15H19FN4O/c1-19-8-5-12(18-19)11-20-9-6-13(7-10-20)21-15-4-2-3-14(16)17-15/h2-5,8,13H,6-7,9-11H2,1H3
InChIKeyXLLHRJXTWCECFL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.00
Rot. Bonds4

About 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine

2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine (PubChem CID 172892945) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine
PubChem CID172892945
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCn1ccc(CN2CCC(Oc3cccc(F)n3)CC2)n1
InChIInChI=1S/C15H19FN4O/c1-19-8-5-12(18-19)11-20-9-6-13(7-10-20)21-15-4-2-3-14(16)17-15/h2-5,8,13H,6-7,9-11H2,1H3
InChIKeyXLLHRJXTWCECFL-UHFFFAOYSA-N
XLogP2.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine (CID 172892945) is 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine is Cn1ccc(CN2CCC(Oc3cccc(F)n3)CC2)n1.
What is the InChIKey of 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine?
The InChIKey is XLLHRJXTWCECFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-19-8-5-12(18-19)11-20-9-6-13(7-10-20)21-15-4-2-3-14(16)17-15/h2-5,8,13H,6-7,9-11H2,1H3.
What are the key properties of 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine?
2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine has a molecular weight of 290.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 172892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).