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

C16H16FN5O — CID 24905302

IUPAC5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCC1
InChIInChI=1S/C16H16FN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-4H2,(H2,18,19,20)
InChIKeyPQRFMBAACAPZPP-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.04
Rot. Bonds2

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

5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol (PubChem CID 24905302) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol.

Molecular Properties

Compound Name5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
PubChem CID24905302
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCC1
InChIInChI=1S/C16H16FN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-4H2,(H2,18,19,20)
InChIKeyPQRFMBAACAPZPP-UHFFFAOYSA-N
XLogP3.04
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.04
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
Pci 29732
CID 22347110
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
3-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 44381237
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
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-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The IUPAC name of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol (CID 24905302) is 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol.
What is the SMILES notation for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The canonical SMILES for 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol is Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCC1.
What is the InChIKey of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
The InChIKey is PQRFMBAACAPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-4H2,(H2,18,19,20).
What are the key properties of 5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol?
5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol has a molecular weight of 313.34 g/mol, XLogP of 3.04, 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-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol is sourced from PubChem (CID 24905302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).