(4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane

C11H12N4O — CID 175761320

IUPAC(4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc2nc(N3CC4C[C@@H]3CO4)ccn2n1
InChIInChI=1S/C11H12N4O/c1-3-12-15-4-2-10(13-11(1)15)14-6-9-5-8(14)7-16-9/h1-4,8-9H,5-7H2/t8-,9?/m1/s1
InChIKeyJUYWDHIRUZSCDI-VEDVMXKPSA-N
MW216.24 g/mol
LogP0.71
Rot. Bonds1

About (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane

(4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 175761320) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID175761320
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc2nc(N3CC4C[C@@H]3CO4)ccn2n1
InChIInChI=1S/C11H12N4O/c1-3-12-15-4-2-10(13-11(1)15)14-6-9-5-8(14)7-16-9/h1-4,8-9H,5-7H2/t8-,9?/m1/s1
InChIKeyJUYWDHIRUZSCDI-VEDVMXKPSA-N
XLogP0.71
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 175761320) is (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane is c1cc2nc(N3CC4C[C@@H]3CO4)ccn2n1.
What is the InChIKey of (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is JUYWDHIRUZSCDI-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H12N4O/c1-3-12-15-4-2-10(13-11(1)15)14-6-9-5-8(14)7-16-9/h1-4,8-9H,5-7H2/t8-,9?/m1/s1.
What are the key properties of (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
(4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 216.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-pyrazolo[1,5-a]pyrimidin-5-yl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 175761320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).