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

C14H14FN5O — CID 24905342

IUPAC3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol
SMILESCC(C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C14H14FN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8/h3-7,21H,1-2H3,(H2,16,17,18)
InChIKeyMJALZBJFTIQSSR-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.50
Rot. Bonds2

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

3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol (PubChem CID 24905342) 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)-5-fluorophenol.

Molecular Properties

Compound Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol
PubChem CID24905342
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol
SMILESCC(C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C14H14FN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8/h3-7,21H,1-2H3,(H2,16,17,18)
InChIKeyMJALZBJFTIQSSR-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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Related Compounds

Torkinib
CID 135565635
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
3-{[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]ethynyl}phenol
CID 44475985
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
CID 24905145
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
3-(1-Methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol
CID 46205037
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
CID 24905300
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905302
5-(4-amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315
1-tert-butyl-3-(3-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 9863650

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol?
The IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol (CID 24905342) is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol.
What is the SMILES notation for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol?
The canonical SMILES for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol is CC(C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol?
The InChIKey is MJALZBJFTIQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8/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)-5-fluorophenol?
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-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)-5-fluorophenol is sourced from PubChem (CID 24905342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).