3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C17H19FN6O2S — CID 11574648

IUPAC3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3c(-c4cccc(F)c4)[nH]nc3n2)CC1
InChIInChI=1S/C17H19FN6O2S/c1-27(25,26)24-7-5-13(6-8-24)20-17-19-10-14-15(22-23-16(14)21-17)11-3-2-4-12(18)9-11/h2-4,9-10,13H,5-8H2,1H3,(H2,19,20,21,22,23)
InChIKeyFSTULUYQXQWZGZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.99
Rot. Bonds4

About 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 11574648) has the molecular formula C17H19FN6O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID11574648
Molecular FormulaC17H19FN6O2S
Molecular Weight390.44 g/mol
Exact Mass390.13
IUPAC Name3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3c(-c4cccc(F)c4)[nH]nc3n2)CC1
InChIInChI=1S/C17H19FN6O2S/c1-27(25,26)24-7-5-13(6-8-24)20-17-19-10-14-15(22-23-16(14)21-17)11-3-2-4-12(18)9-11/h2-4,9-10,13H,5-8H2,1H3,(H2,19,20,21,22,23)
InChIKeyFSTULUYQXQWZGZ-UHFFFAOYSA-N
XLogP1.99
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-difluoro-6-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11568338
4-[[3-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 72552921
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
4-N-[3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]cyclohexane-1,4-diamine
CID 149198381
3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 177142704
4-[6-(dimethylamino)-5-fluoro-3-pyridinyl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 171617204
7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
CID 71871267
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
CID 170740243
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
8-fluoro-6-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]quinoline-4-carboxylic acid
CID 164570492

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 11574648) is 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is CS(=O)(=O)N1CCC(Nc2ncc3c(-c4cccc(F)c4)[nH]nc3n2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is FSTULUYQXQWZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2S/c1-27(25,26)24-7-5-13(6-8-24)20-17-19-10-14-15(22-23-16(14)21-17)11-3-2-4-12(18)9-11/h2-4,9-10,13H,5-8H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 390.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 11574648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).