6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

C12H9FN4 — CID 141418727

IUPAC6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(-c3cccc(F)c3)ncc12
InChIInChI=1S/C12H9FN4/c1-7-10-6-14-11(15-12(10)17-16-7)8-3-2-4-9(13)5-8/h2-6H,1H3,(H,14,15,16,17)
InChIKeyPSUHSLYSTXDSSZ-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.47
Rot. Bonds1

About 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 141418727) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID141418727
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(-c3cccc(F)c3)ncc12
InChIInChI=1S/C12H9FN4/c1-7-10-6-14-11(15-12(10)17-16-7)8-3-2-4-9(13)5-8/h2-6H,1H3,(H,14,15,16,17)
InChIKeyPSUHSLYSTXDSSZ-UHFFFAOYSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine
CID 141418735
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 174914335
2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
CID 114207096
3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11574648
ethane;6-fluoro-3-methyl-2H-indazole
CID 145099326
2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377
ethane;2-(3-fluorophenyl)-5-methylpyridine
CID 142255933
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482
2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine
CID 64981282

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (CID 141418727) is 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is Cc1[nH]nc2nc(-c3cccc(F)c3)ncc12.
What is the InChIKey of 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is PSUHSLYSTXDSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c1-7-10-6-14-11(15-12(10)17-16-7)8-3-2-4-9(13)5-8/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 228.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 141418727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).