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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Related Compounds

4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133376968
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905027
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138019722
2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine
CID 133309259
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655

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).