4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine

C11H13N5 — CID 133269772

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CC3CCC2C3)c2cn[nH]c2n1
InChIInChI=1S/C11H13N5/c1-2-8-3-7(1)5-16(8)11-9-4-14-15-10(9)12-6-13-11/h4,6-8H,1-3,5H2,(H,12,13,14,15)
InChIKeyBDHQOKIKCUZENK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.34
Rot. Bonds1

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 133269772) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID133269772
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CC3CCC2C3)c2cn[nH]c2n1
InChIInChI=1S/C11H13N5/c1-2-8-3-7(1)5-16(8)11-9-4-14-15-10(9)12-6-13-11/h4,6-8H,1-3,5H2,(H,12,13,14,15)
InChIKeyBDHQOKIKCUZENK-UHFFFAOYSA-N
XLogP1.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 133269772) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine is c1nc(N2CC3CCC2C3)c2cn[nH]c2n1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is BDHQOKIKCUZENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-8-3-7(1)5-16(8)11-9-4-14-15-10(9)12-6-13-11/h4,6-8H,1-3,5H2,(H,12,13,14,15).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 215.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 133269772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).