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

C16H16ClN5O — CID 24905300

IUPAC5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
SMILESNc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1
InChIInChI=1S/C16H16ClN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-4H2,(H2,18,19,20)
InChIKeyUDUPSRWUDACGIS-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.55
Rot. Bonds2

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

5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol (PubChem CID 24905300) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol.

Molecular Properties

Compound Name5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
PubChem CID24905300
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
SMILESNc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1
InChIInChI=1S/C16H16ClN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-4H2,(H2,18,19,20)
InChIKeyUDUPSRWUDACGIS-UHFFFAOYSA-N
XLogP3.55
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-chlorophenol?
The IUPAC name of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol (CID 24905300) is 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol.
What is the SMILES notation for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol?
The canonical SMILES for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol is Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1.
What is the InChIKey of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol?
The InChIKey is UDUPSRWUDACGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-4H2,(H2,18,19,20).
What are the key properties of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol?
5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol has a molecular weight of 329.79 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol is sourced from PubChem (CID 24905300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).