8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C16H20N4O2 — CID 56822822

IUPAC8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cncc(-c2ccnn2CN2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H20N4O2/c1-2-14(12-17-6-1)15-3-7-18-20(15)13-19-8-4-16(5-9-19)21-10-11-22-16/h1-3,6-7,12H,4-5,8-11,13H2
InChIKeyRHLKKFMNYNSLDY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.74
Rot. Bonds3

About 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 56822822) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID56822822
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cncc(-c2ccnn2CN2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H20N4O2/c1-2-14(12-17-6-1)15-3-7-18-20(15)13-19-8-4-16(5-9-19)21-10-11-22-16/h1-3,6-7,12H,4-5,8-11,13H2
InChIKeyRHLKKFMNYNSLDY-UHFFFAOYSA-N
XLogP1.74
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 56822822) is 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is c1cncc(-c2ccnn2CN2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is RHLKKFMNYNSLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-14(12-17-6-1)15-3-7-18-20(15)13-19-8-4-16(5-9-19)21-10-11-22-16/h1-3,6-7,12H,4-5,8-11,13H2.
What are the key properties of 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 300.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 56822822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).