4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one

C12H10FN5O — CID 15698857

IUPAC4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3cccc(F)c3)c2nc1=O
InChIInChI=1S/C12H10FN5O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-3-7(13)5-8/h2-6H,14H2,1H3
InChIKeyUJSUSEAGUXTBEX-UHFFFAOYSA-N
MW259.24 g/mol
LogP0.84
Rot. Bonds1

About 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one

4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698857) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698857
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3cccc(F)c3)c2nc1=O
InChIInChI=1S/C12H10FN5O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-3-7(13)5-8/h2-6H,14H2,1H3
InChIKeyUJSUSEAGUXTBEX-UHFFFAOYSA-N
XLogP0.84
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-1,5-diphenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 645041
4-Amino-5-butyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698869
4-Amino-5-butyl-1-(3-chloro-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698873
4-Amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698849
4-Amino-1-(2-chlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698850
4-Amino-1-(3-chloro-phenyl)-5-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698851
4-Amino-1-(4-chlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698852
4-Amino-1-(2-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698853
4-Amino-1-(3-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698854
4-Amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698855
4-Amino-1-(2-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698856
4-Amino-1-(4-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698858

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698857) is 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is Cn1c(N)c2cnn(-c3cccc(F)c3)c2nc1=O.
What is the InChIKey of 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is UJSUSEAGUXTBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-3-7(13)5-8/h2-6H,14H2,1H3.
What are the key properties of 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 259.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).