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

C18H16N6OS — CID 60514365

IUPAC3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C18H16N6OS/c1-11(17-22-15(23-25-17)12-7-8-12)26-18-14-9-21-24(16(14)19-10-20-18)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyFYZJJXQPVSPQMY-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.93
Rot. Bonds5

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

3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole (PubChem CID 60514365) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
PubChem CID60514365
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C18H16N6OS/c1-11(17-22-15(23-25-17)12-7-8-12)26-18-14-9-21-24(16(14)19-10-20-18)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyFYZJJXQPVSPQMY-UHFFFAOYSA-N
XLogP3.93
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
CID 70606737
4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 60558325
3-cyclopropyl-5-[1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 78900452
1-(4-methylpiperidin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 18079062
3-cyclopropyl-5-[1-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 55845418
3-cyclopropyl-5-[1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60516195
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
methyl (2R)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylbutanoate
CID 7199695
(2R)-N-carbamoyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 2639659
N-ethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18199092
2-[1-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55495516
3-cyclopropyl-5-[1-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60513503

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole (CID 60514365) is 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole is CC(Sc1ncnc2c1cnn2-c1ccccc1)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is FYZJJXQPVSPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-11(17-22-15(23-25-17)12-7-8-12)26-18-14-9-21-24(16(14)19-10-20-18)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 364.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60514365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).