3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C16H22N8O — CID 42947342

IUPAC3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3ncnc4c3cnn4C)CC2)n1
InChIInChI=1S/C16H22N8O/c1-4-13-20-16(25-21-13)11(2)23-5-7-24(8-6-23)15-12-9-19-22(3)14(12)17-10-18-15/h9-11H,4-8H2,1-3H3
InChIKeyFSVHMOUOVYRYNQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP1.19
Rot. Bonds4

About 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 42947342) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID42947342
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3ncnc4c3cnn4C)CC2)n1
InChIInChI=1S/C16H22N8O/c1-4-13-20-16(25-21-13)11(2)23-5-7-24(8-6-23)15-12-9-19-22(3)14(12)17-10-18-15/h9-11H,4-8H2,1-3H3
InChIKeyFSVHMOUOVYRYNQ-UHFFFAOYSA-N
XLogP1.19
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-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-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]piperazin-2-one
CID 165415065
1-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 71225858
2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
CID 71225600
N-(1-(3-(4-methylpiperazin-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71226049
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,1-dimethyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56895178
1-[4-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 172441400
(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 97195566
3-Cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one
CID 136538263
5-(4-fluoro-1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}pyrrolidin-2-yl)-3-methyl-1,2,4-oxadiazole
CID 126851859
5-[(2R,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129563701
5-[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129563702
5-[(2R,4S)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129563703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 42947342) is 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(c3ncnc4c3cnn4C)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is FSVHMOUOVYRYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-4-13-20-16(25-21-13)11(2)23-5-7-24(8-6-23)15-12-9-19-22(3)14(12)17-10-18-15/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 342.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42947342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).