6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one

C11H13N3O2 — CID 178121835

IUPAC6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(c2ccc3cc(=O)[nH]n3c2)C1([2H])[2H]
InChIInChI=1S/C11H13N3O2/c15-11-7-9-1-2-10(8-14(9)12-11)13-3-5-16-6-4-13/h1-2,7-8H,3-6H2,(H,12,15)/i3D2,4D2,5D2,6D2
InChIKeyOWRKELCZOUAZNB-SQUIKQQTSA-N
MW227.29 g/mol
LogP0.46
Rot. Bonds1

About 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one

6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one (PubChem CID 178121835) has the molecular formula C11H13N3O2 and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one.

Molecular Properties

Compound Name6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one
PubChem CID178121835
Molecular FormulaC11H13N3O2
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(c2ccc3cc(=O)[nH]n3c2)C1([2H])[2H]
InChIInChI=1S/C11H13N3O2/c15-11-7-9-1-2-10(8-14(9)12-11)13-3-5-16-6-4-13/h1-2,7-8H,3-6H2,(H,12,15)/i3D2,4D2,5D2,6D2
InChIKeyOWRKELCZOUAZNB-SQUIKQQTSA-N
XLogP0.46
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one?
The IUPAC name of 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one (CID 178121835) is 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one.
What is the SMILES notation for 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one?
The canonical SMILES for 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one is [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(c2ccc3cc(=O)[nH]n3c2)C1([2H])[2H].
What is the InChIKey of 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one?
The InChIKey is OWRKELCZOUAZNB-SQUIKQQTSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-7-9-1-2-10(8-14(9)12-11)13-3-5-16-6-4-13/h1-2,7-8H,3-6H2,(H,12,15)/i3D2,4D2,5D2,6D2.
What are the key properties of 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one?
6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one has a molecular weight of 227.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one is sourced from PubChem (CID 178121835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).