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

C17H18FN5O — CID 24905315

IUPAC5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESCC1CCC(n2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)C1
InChIInChI=1S/C17H18FN5O/c1-9-2-4-11(6-9)23-17-14(16(19)20-8-21-17)15(22-23)10-3-5-12(18)13(24)7-10/h3,5,7-9,11,24H,2,4,6H2,1H3,(H2,19,20,21)
InChIKeyMBPKPSDAPFPECJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.28
Rot. Bonds2

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

5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 24905315) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
PubChem CID24905315
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESCC1CCC(n2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)C1
InChIInChI=1S/C17H18FN5O/c1-9-2-4-11(6-9)23-17-14(16(19)20-8-21-17)15(22-23)10-3-5-12(18)13(24)7-10/h3,5,7-9,11,24H,2,4,6H2,1H3,(H2,19,20,21)
InChIKeyMBPKPSDAPFPECJ-UHFFFAOYSA-N
XLogP3.28
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.28
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-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The IUPAC name of 5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (CID 24905315) is 5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.
What is the SMILES notation for 5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The canonical SMILES for 5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is CC1CCC(n2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)C1.
What is the InChIKey of 5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The InChIKey is MBPKPSDAPFPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-9-2-4-11(6-9)23-17-14(16(19)20-8-21-17)15(22-23)10-3-5-12(18)13(24)7-10/h3,5,7-9,11,24H,2,4,6H2,1H3,(H2,19,20,21).
What are the key properties of 5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
5-[4-amino-1-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 327.36 g/mol, XLogP of 3.28, 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-(3-methylcyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 24905315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).