6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H12FN5O2S — CID 137272667

IUPAC6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Sc2ncc(-c3ccc(F)cc3)o2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H12FN5O2S/c21-13-8-6-12(7-9-13)16-11-22-20(28-16)29-19-24-17-15(18(27)25-19)10-23-26(17)14-4-2-1-3-5-14/h1-11H,(H,24,25,27)
InChIKeySGDLJYOVXKIMBG-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.05
Rot. Bonds4

About 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137272667) has the molecular formula C20H12FN5O2S and a molecular weight of 405.41 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137272667
Molecular FormulaC20H12FN5O2S
Molecular Weight405.41 g/mol
Exact Mass405.07
IUPAC Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Sc2ncc(-c3ccc(F)cc3)o2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H12FN5O2S/c21-13-8-6-12(7-9-13)16-11-22-20(28-16)29-19-24-17-15(18(27)25-19)10-23-26(17)14-4-2-1-3-5-14/h1-11H,(H,24,25,27)
InChIKeySGDLJYOVXKIMBG-UHFFFAOYSA-N
XLogP4.05
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137300074
6-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272609
6-[(5-fluoro-1,3-benzoxazol-2-yl)methylsulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146636640
1-(4-fluorophenyl)-6-[(4-methylphenyl)methylsulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135423587
6-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272615
6-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272603
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136934134
1-(4-methylphenyl)-6-(1-phenylethylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135468340
1-phenyl-6-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135929669
benzyl 2-[[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetate
CID 135847534
6-butan-2-ylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135468804
1-(3-methylphenyl)-6-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637867

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137272667) is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(Sc2ncc(-c3ccc(F)cc3)o2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SGDLJYOVXKIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O2S/c21-13-8-6-12(7-9-13)16-11-22-20(28-16)29-19-24-17-15(18(27)25-19)10-23-26(17)14-4-2-1-3-5-14/h1-11H,(H,24,25,27).
What are the key properties of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 405.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137272667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).