1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H11FN4O2 — CID 135620571

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2CC(O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN4O2/c14-9-3-1-8(2-4-9)11(19)6-18-12-10(5-17-18)13(20)16-7-15-12/h1-5,7,11,19H,6H2,(H,15,16,20)
InChIKeyUOWYMFFRBPAWSQ-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.99
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135620571) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135620571
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2CC(O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN4O2/c14-9-3-1-8(2-4-9)11(19)6-18-12-10(5-17-18)13(20)16-7-15-12/h1-5,7,11,19H,6H2,(H,15,16,20)
InChIKeyUOWYMFFRBPAWSQ-UHFFFAOYSA-N
XLogP0.99
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135620571) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UOWYMFFRBPAWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c14-9-3-1-8(2-4-9)11(19)6-18-12-10(5-17-18)13(20)16-7-15-12/h1-5,7,11,19H,6H2,(H,15,16,20).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 274.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135620571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).