5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one

C11H7FN4OS — CID 135468410

IUPAC5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1F
InChIInChI=1S/C11H7FN4OS/c12-7-3-1-2-4-8(7)16-10(17)6-5-13-15-9(6)14-11(16)18/h1-5H,(H2,13,14,15,18)
InChIKeyAPCDYVTZQMJLCR-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.91
Rot. Bonds1

About 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one

5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135468410) has the molecular formula C11H7FN4OS and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135468410
Molecular FormulaC11H7FN4OS
Molecular Weight262.27 g/mol
Exact Mass262.03
IUPAC Name5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1F
InChIInChI=1S/C11H7FN4OS/c12-7-3-1-2-4-8(7)16-10(17)6-5-13-15-9(6)14-11(16)18/h1-5H,(H2,13,14,15,18)
InChIKeyAPCDYVTZQMJLCR-UHFFFAOYSA-N
XLogP1.91
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-6-sulfanyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135521054
6-mercapto-5-(4-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412362
5-Naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135468414
5-(2-chlorophenyl)-6-mercapto-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135433193
5-phenyl-6-sulfanyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412360
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-phenyl-
CID 3072256
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-fluorophenyl)-
CID 3072261
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-
CID 3072262
5-(3-Chlorophenyl)-6-sulfanyl-2H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 135437379
5-amino-N-phenyl-1H-pyrazole-4-carboxamide
CID 671570
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-(phenylamino)-
CID 3072246
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-fluorophenyl)amino)-
CID 3072252

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135468410) is 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is APCDYVTZQMJLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4OS/c12-7-3-1-2-4-8(7)16-10(17)6-5-13-15-9(6)14-11(16)18/h1-5H,(H2,13,14,15,18).
What are the key properties of 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 262.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135468410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).