3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole

C18H12N6O2S — CID 55551341

IUPAC3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-n2ncc3c(SCc4nc(-c5ccco5)no4)ncnc32)cc1
InChIInChI=1S/C18H12N6O2S/c1-2-5-12(6-3-1)24-17-13(9-21-24)18(20-11-19-17)27-10-15-22-16(23-26-15)14-7-4-8-25-14/h1-9,11H,10H2
InChIKeyHGRXDRXRRXVKPW-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.75
Rot. Bonds5

About 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 55551341) has the molecular formula C18H12N6O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID55551341
Molecular FormulaC18H12N6O2S
Molecular Weight376.40 g/mol
Exact Mass376.07
IUPAC Name3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-n2ncc3c(SCc4nc(-c5ccco5)no4)ncnc32)cc1
InChIInChI=1S/C18H12N6O2S/c1-2-5-12(6-3-1)24-17-13(9-21-24)18(20-11-19-17)27-10-15-22-16(23-26-15)14-7-4-8-25-14/h1-9,11H,10H2
InChIKeyHGRXDRXRRXVKPW-UHFFFAOYSA-N
XLogP3.75
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-benzyl-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38867066
2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 112797709
2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
CID 16507589
8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 37133707
3-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 46644813
3-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 78846673
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile
CID 16507685
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 8852385
3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 37314754
3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 7889538
1-(4-nitrophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 1423093

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 55551341) is 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole is c1ccc(-n2ncc3c(SCc4nc(-c5ccco5)no4)ncnc32)cc1.
What is the InChIKey of 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is HGRXDRXRRXVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2S/c1-2-5-12(6-3-1)24-17-13(9-21-24)18(20-11-19-17)27-10-15-22-16(23-26-15)14-7-4-8-25-14/h1-9,11H,10H2.
What are the key properties of 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 376.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 55551341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).