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

C17H24N8O — CID 18156034

IUPAC3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1
InChIInChI=1S/C17H24N8O/c1-12(2)8-14-21-15(26-22-14)10-24-4-6-25(7-5-24)17-13-9-20-23(3)16(13)18-11-19-17/h9,11-12H,4-8,10H2,1-3H3
InChIKeyPQTGKZVVMYRTNE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.27
Rot. Bonds5

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

3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 18156034) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID18156034
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1
InChIInChI=1S/C17H24N8O/c1-12(2)8-14-21-15(26-22-14)10-24-4-6-25(7-5-24)17-13-9-20-23(3)16(13)18-11-19-17/h9,11-12H,4-8,10H2,1-3H3
InChIKeyPQTGKZVVMYRTNE-UHFFFAOYSA-N
XLogP1.27
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 18156034) is 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)Cc1noc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1.
What is the InChIKey of 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is PQTGKZVVMYRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O/c1-12(2)8-14-21-15(26-22-14)10-24-4-6-25(7-5-24)17-13-9-20-23(3)16(13)18-11-19-17/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 356.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 18156034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).