5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol

C18H21N5O2 — CID 24905197

IUPAC5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol
SMILESCCOc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1O
InChIInChI=1S/C18H21N5O2/c1-2-25-14-8-7-11(9-13(14)24)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,12,24H,2-6H2,1H3,(H2,19,20,21)
InChIKeyHVUAYFFHDRNLOX-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.29
Rot. Bonds4

About 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol

5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol (PubChem CID 24905197) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol
PubChem CID24905197
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol
SMILESCCOc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1O
InChIInChI=1S/C18H21N5O2/c1-2-25-14-8-7-11(9-13(14)24)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,12,24H,2-6H2,1H3,(H2,19,20,21)
InChIKeyHVUAYFFHDRNLOX-UHFFFAOYSA-N
XLogP3.29
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol?
The IUPAC name of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol (CID 24905197) is 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol.
What is the SMILES notation for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol?
The canonical SMILES for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol is CCOc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1O.
What is the InChIKey of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol?
The InChIKey is HVUAYFFHDRNLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-25-14-8-7-11(9-13(14)24)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,12,24H,2-6H2,1H3,(H2,19,20,21).
What are the key properties of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol?
5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol has a molecular weight of 339.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol is sourced from PubChem (CID 24905197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).