1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine

C12H9FN4S — CID 17456265

IUPAC1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C12H9FN4S/c1-18-12-10-6-16-17(11(10)14-7-15-12)9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKeyHOPVYAYRUMAWAU-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.68
Rot. Bonds2

About 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine

1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine (PubChem CID 17456265) has the molecular formula C12H9FN4S and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
PubChem CID17456265
Molecular FormulaC12H9FN4S
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Name1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C12H9FN4S/c1-18-12-10-6-16-17(11(10)14-7-15-12)9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKeyHOPVYAYRUMAWAU-UHFFFAOYSA-N
XLogP2.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
CID 7199813
methyl (2R)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanoate
CID 7199825
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide
CID 18561807
ethyl (2S)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutanoate
CID 7199818
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 24601298
N,N-diethyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 7205366
1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
CID 16603771
4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 60558325
N-(4-fluorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18078079
2-[1-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55495516
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
CID 24623038
N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanamide
CID 24601301

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine (CID 17456265) is 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine is CSc1ncnc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine?
The InChIKey is HOPVYAYRUMAWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4S/c1-18-12-10-6-16-17(11(10)14-7-15-12)9-4-2-8(13)3-5-9/h2-7H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine?
1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine has a molecular weight of 260.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 17456265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).