5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

C17H19FN6O — CID 24905301

IUPAC5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2CC1CCNCC1
InChIInChI=1S/C17H19FN6O/c18-12-2-1-11(7-13(12)25)15-14-16(19)21-9-22-17(14)24(23-15)8-10-3-5-20-6-4-10/h1-2,7,9-10,20,25H,3-6,8H2,(H2,19,21,22)
InChIKeyUUXPLQHZTQRNPY-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.92
Rot. Bonds3

About 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 24905301) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
PubChem CID24905301
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2CC1CCNCC1
InChIInChI=1S/C17H19FN6O/c18-12-2-1-11(7-13(12)25)15-14-16(19)21-9-22-17(14)24(23-15)8-10-3-5-20-6-4-10/h1-2,7,9-10,20,25H,3-6,8H2,(H2,19,21,22)
InChIKeyUUXPLQHZTQRNPY-UHFFFAOYSA-N
XLogP1.92
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The IUPAC name of 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (CID 24905301) is 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.
What is the SMILES notation for 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The canonical SMILES for 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2CC1CCNCC1.
What is the InChIKey of 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The InChIKey is UUXPLQHZTQRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-12-2-1-11(7-13(12)25)15-14-16(19)21-9-22-17(14)24(23-15)8-10-3-5-20-6-4-10/h1-2,7,9-10,20,25H,3-6,8H2,(H2,19,21,22).
What are the key properties of 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 342.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 24905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).