3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol

C14H14FN5O — CID 24905180

IUPAC3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
SMILESCC(C)n1nc(-c2cccc(O)c2F)c2c(N)ncnc21
InChIInChI=1S/C14H14FN5O/c1-7(2)20-14-10(13(16)17-6-18-14)12(19-20)8-4-3-5-9(21)11(8)15/h3-7,21H,1-2H3,(H2,16,17,18)
InChIKeyRXNGGTYNZUEFOM-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.50
Rot. Bonds2

About 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol

3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol (PubChem CID 24905180) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol.

Molecular Properties

Compound Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
PubChem CID24905180
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
SMILESCC(C)n1nc(-c2cccc(O)c2F)c2c(N)ncnc21
InChIInChI=1S/C14H14FN5O/c1-7(2)20-14-10(13(16)17-6-18-14)12(19-20)8-4-3-5-9(21)11(8)15/h3-7,21H,1-2H3,(H2,16,17,18)
InChIKeyRXNGGTYNZUEFOM-UHFFFAOYSA-N
XLogP2.50
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol (CID 24905180) is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol.
What is the SMILES notation for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The canonical SMILES for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol is CC(C)n1nc(-c2cccc(O)c2F)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The InChIKey is RXNGGTYNZUEFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-7(2)20-14-10(13(16)17-6-18-14)12(19-20)8-4-3-5-9(21)11(8)15/h3-7,21H,1-2H3,(H2,16,17,18).
What are the key properties of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol has a molecular weight of 287.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol is sourced from PubChem (CID 24905180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).