3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

C18H26N8O — CID 56895251

IUPAC3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3nc(C(C)(C)C)nc4c3cnn4C)CC2)no1
InChIInChI=1S/C18H26N8O/c1-12-20-14(23-27-12)11-25-6-8-26(9-7-25)16-13-10-19-24(5)15(13)21-17(22-16)18(2,3)4/h10H,6-9,11H2,1-5H3
InChIKeyXERYJTHNACEACR-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.67
Rot. Bonds3

About 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 56895251) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID56895251
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3nc(C(C)(C)C)nc4c3cnn4C)CC2)no1
InChIInChI=1S/C18H26N8O/c1-12-20-14(23-27-12)11-25-6-8-26(9-7-25)16-13-10-19-24(5)15(13)21-17(22-16)18(2,3)4/h10H,6-9,11H2,1-5H3
InChIKeyXERYJTHNACEACR-UHFFFAOYSA-N
XLogP1.67
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 56895251) is 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2CCN(c3nc(C(C)(C)C)nc4c3cnn4C)CC2)no1.
What is the InChIKey of 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is XERYJTHNACEACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-12-20-14(23-27-12)11-25-6-8-26(9-7-25)16-13-10-19-24(5)15(13)21-17(22-16)18(2,3)4/h10H,6-9,11H2,1-5H3.
What are the key properties of 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 370.46 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 56895251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).