2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine

C19H18N4O2 — CID 58336794

IUPAC2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
SMILESc1cncc(-n2cc(-c3cccc(C4OCC5(CC5)CO4)n3)cn2)c1
InChIInChI=1S/C19H18N4O2/c1-4-16(14-9-21-23(11-14)15-3-2-8-20-10-15)22-17(5-1)18-24-12-19(6-7-19)13-25-18/h1-5,8-11,18H,6-7,12-13H2
InChIKeyFTMHWFFYJQOMBK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds3

About 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine

2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine (PubChem CID 58336794) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
PubChem CID58336794
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
SMILESc1cncc(-n2cc(-c3cccc(C4OCC5(CC5)CO4)n3)cn2)c1
InChIInChI=1S/C19H18N4O2/c1-4-16(14-9-21-23(11-14)15-3-2-8-20-10-15)22-17(5-1)18-24-12-19(6-7-19)13-25-18/h1-5,8-11,18H,6-7,12-13H2
InChIKeyFTMHWFFYJQOMBK-UHFFFAOYSA-N
XLogP3.15
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine?
The IUPAC name of 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine (CID 58336794) is 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine is c1cncc(-n2cc(-c3cccc(C4OCC5(CC5)CO4)n3)cn2)c1.
What is the InChIKey of 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine?
The InChIKey is FTMHWFFYJQOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-4-16(14-9-21-23(11-14)15-3-2-8-20-10-15)22-17(5-1)18-24-12-19(6-7-19)13-25-18/h1-5,8-11,18H,6-7,12-13H2.
What are the key properties of 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine?
2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine has a molecular weight of 334.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 58336794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).