7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C13H16N4O2 — CID 171959788

IUPAC7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cnc3ccnn3c2)CC2COCC(C1)N2
InChIInChI=1S/C13H16N4O2/c18-13(3-10-7-19-8-11(4-13)16-10)9-5-14-12-1-2-15-17(12)6-9/h1-2,5-6,10-11,16,18H,3-4,7-8H2
InChIKeyWIEIRRDKFMYWLP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.07
Rot. Bonds1

About 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171959788) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171959788
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cnc3ccnn3c2)CC2COCC(C1)N2
InChIInChI=1S/C13H16N4O2/c18-13(3-10-7-19-8-11(4-13)16-10)9-5-14-12-1-2-15-17(12)6-9/h1-2,5-6,10-11,16,18H,3-4,7-8H2
InChIKeyWIEIRRDKFMYWLP-UHFFFAOYSA-N
XLogP0.07
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171959788) is 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(c2cnc3ccnn3c2)CC2COCC(C1)N2.
What is the InChIKey of 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is WIEIRRDKFMYWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(3-10-7-19-8-11(4-13)16-10)9-5-14-12-1-2-15-17(12)6-9/h1-2,5-6,10-11,16,18H,3-4,7-8H2.
What are the key properties of 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 260.30 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171959788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).