6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C16H23N7O2 — CID 56899150

IUPAC6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCc1noc(CNc2nc(C(C)(C)C)nc3c2cnn3C)n1
InChIInChI=1S/C16H23N7O2/c1-16(2,3)15-20-13(10-8-18-23(4)14(10)21-15)17-9-12-19-11(22-25-12)6-7-24-5/h8H,6-7,9H2,1-5H3,(H,17,20,21)
InChIKeyFCZMWSLDTTUQLE-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.84
Rot. Bonds6

About 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56899150) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56899150
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCc1noc(CNc2nc(C(C)(C)C)nc3c2cnn3C)n1
InChIInChI=1S/C16H23N7O2/c1-16(2,3)15-20-13(10-8-18-23(4)14(10)21-15)17-9-12-19-11(22-25-12)6-7-24-5/h8H,6-7,9H2,1-5H3,(H,17,20,21)
InChIKeyFCZMWSLDTTUQLE-UHFFFAOYSA-N
XLogP1.84
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56899150) is 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COCCc1noc(CNc2nc(C(C)(C)C)nc3c2cnn3C)n1.
What is the InChIKey of 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FCZMWSLDTTUQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-16(2,3)15-20-13(10-8-18-23(4)14(10)21-15)17-9-12-19-11(22-25-12)6-7-24-5/h8H,6-7,9H2,1-5H3,(H,17,20,21).
What are the key properties of 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56899150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).