2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine

C17H15FN4O2 — CID 58336820

IUPAC2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine
SMILESFc1cncc(-n2cc(-c3cccc(C4OCCCO4)n3)cn2)c1
InChIInChI=1S/C17H15FN4O2/c18-13-7-14(10-19-9-13)22-11-12(8-20-22)15-3-1-4-16(21-15)17-23-5-2-6-24-17/h1,3-4,7-11,17H,2,5-6H2
InChIKeyWFLUVEFLKIMCPH-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.90
Rot. Bonds3

About 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine

2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine (PubChem CID 58336820) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine
PubChem CID58336820
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine
SMILESFc1cncc(-n2cc(-c3cccc(C4OCCCO4)n3)cn2)c1
InChIInChI=1S/C17H15FN4O2/c18-13-7-14(10-19-9-13)22-11-12(8-20-22)15-3-1-4-16(21-15)17-23-5-2-6-24-17/h1,3-4,7-11,17H,2,5-6H2
InChIKeyWFLUVEFLKIMCPH-UHFFFAOYSA-N
XLogP2.90
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine?
The IUPAC name of 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine (CID 58336820) is 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine is Fc1cncc(-n2cc(-c3cccc(C4OCCCO4)n3)cn2)c1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine?
The InChIKey is WFLUVEFLKIMCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-13-7-14(10-19-9-13)22-11-12(8-20-22)15-3-1-4-16(21-15)17-23-5-2-6-24-17/h1,3-4,7-11,17H,2,5-6H2.
What are the key properties of 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine?
2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine has a molecular weight of 326.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-6-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 58336820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).