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

C18H20FN5O — CID 24905327

IUPAC5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCCCC1
InChIInChI=1S/C18H20FN5O/c19-13-8-7-11(9-14(13)25)16-15-17(20)21-10-22-18(15)24(23-16)12-5-3-1-2-4-6-12/h7-10,12,25H,1-6H2,(H2,20,21,22)
InChIKeyXNODQMMIMXSTMX-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.82
Rot. Bonds2

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

5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol (PubChem CID 24905327) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol.

Molecular Properties

Compound Name5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
PubChem CID24905327
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCCCC1
InChIInChI=1S/C18H20FN5O/c19-13-8-7-11(9-14(13)25)16-15-17(20)21-10-22-18(15)24(23-16)12-5-3-1-2-4-6-12/h7-10,12,25H,1-6H2,(H2,20,21,22)
InChIKeyXNODQMMIMXSTMX-UHFFFAOYSA-N
XLogP3.82
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.82
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-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The IUPAC name of 5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol (CID 24905327) is 5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol.
What is the SMILES notation for 5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The canonical SMILES for 5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol is Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCCCC1.
What is the InChIKey of 5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The InChIKey is XNODQMMIMXSTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-13-8-7-11(9-14(13)25)16-15-17(20)21-10-22-18(15)24(23-16)12-5-3-1-2-4-6-12/h7-10,12,25H,1-6H2,(H2,20,21,22).
What are the key properties of 5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
5-(4-amino-1-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol has a molecular weight of 341.39 g/mol, XLogP of 3.82, 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-cycloheptylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol is sourced from PubChem (CID 24905327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).