5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one

C11H9FN6O — CID 3072253

IUPAC5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(Nc2cccc(F)c2)nc2[nH]ncc2c1=O
InChIInChI=1S/C11H9FN6O/c12-6-2-1-3-7(4-6)15-11-16-9-8(5-14-17-9)10(19)18(11)13/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyIKZSSKIZGGHSLW-UHFFFAOYSA-N
MW260.23 g/mol
LogP0.72
Rot. Bonds2

About 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one

5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3072253) has the molecular formula C11H9FN6O and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3072253
Molecular FormulaC11H9FN6O
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Name5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(Nc2cccc(F)c2)nc2[nH]ncc2c1=O
InChIInChI=1S/C11H9FN6O/c12-6-2-1-3-7(4-6)15-11-16-9-8(5-14-17-9)10(19)18(11)13/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyIKZSSKIZGGHSLW-UHFFFAOYSA-N
XLogP0.72
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 3072253) is 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one is Nn1c(Nc2cccc(F)c2)nc2[nH]ncc2c1=O.
What is the InChIKey of 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IKZSSKIZGGHSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6O/c12-6-2-1-3-7(4-6)15-11-16-9-8(5-14-17-9)10(19)18(11)13/h1-5H,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 260.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3072253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).