N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine

C13H12FN5O2S — CID 11012666

IUPACN-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3cccc(F)c3)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C13H12FN5O2S/c1-19-12-10(7-15-19)11(17-13(18-12)22(2,20)21)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,17,18)
InChIKeyGDPPEUIKCUJTDP-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.65
Rot. Bonds3

About N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11012666) has the molecular formula C13H12FN5O2S and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11012666
Molecular FormulaC13H12FN5O2S
Molecular Weight321.34 g/mol
Exact Mass321.07
IUPAC NameN-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3cccc(F)c3)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C13H12FN5O2S/c1-19-12-10(7-15-19)11(17-13(18-12)22(2,20)21)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,17,18)
InChIKeyGDPPEUIKCUJTDP-UHFFFAOYSA-N
XLogP1.65
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11012666) is N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(Nc3cccc(F)c3)nc(S(C)(=O)=O)nc21.
What is the InChIKey of N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GDPPEUIKCUJTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2S/c1-19-12-10(7-15-19)11(17-13(18-12)22(2,20)21)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11012666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).