6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

C19H15FN4OS — CID 3248741

IUPAC6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(SCc2cccc(F)c2)nc2[nH]ncc2c1=O
InChIInChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23)
InChIKeySSEVBNPAVKLWFQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.85
Rot. Bonds4

About 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3248741) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3248741
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(SCc2cccc(F)c2)nc2[nH]ncc2c1=O
InChIInChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23)
InChIKeySSEVBNPAVKLWFQ-UHFFFAOYSA-N
XLogP3.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 132258507
1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 132259554
N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-phenylacetamide
CID 135831523
6-[(3-Fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-one
CID 132258516
6-[(3-Fluorophenyl)methylsulfanyl]-2-methyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 132258587
6-[(3-Fluorophenyl)methylsulfanyl]-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 132258626
6-[(3-Fluorophenyl)methylsulfanyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132258961
6-[(3-Fluorophenyl)methylsulfanyl]-1-(oxetan-3-yl)-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259025
1-Methyl-5-phenyl-6-(1-phenylpropylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 132259118
1-Methyl-5-phenyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 132259264
6-[(3-Fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1-(oxetan-3-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 132259329
6-[1-(3-Fluorophenyl)ethylsulfanyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259456

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 3248741) is 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2[nH]ncc2c1=O.
What is the InChIKey of 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SSEVBNPAVKLWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 366.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3248741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).