5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine

C20H22N6O — CID 67528400

IUPAC5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(-c3nnc(C(C)(C)C)o3)cnc21
InChIInChI=1S/C20H22N6O/c1-5-26-17-14(12-22-26)16(23-13-9-7-6-8-10-13)15(11-21-17)18-24-25-19(27-18)20(2,3)4/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyMGOHOQODULBLIC-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.54
Rot. Bonds4

About 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine

5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 67528400) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID67528400
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(-c3nnc(C(C)(C)C)o3)cnc21
InChIInChI=1S/C20H22N6O/c1-5-26-17-14(12-22-26)16(23-13-9-7-6-8-10-13)15(11-21-17)18-24-25-19(27-18)20(2,3)4/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyMGOHOQODULBLIC-UHFFFAOYSA-N
XLogP4.54
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine (CID 67528400) is 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(Nc3ccccc3)c(-c3nnc(C(C)(C)C)o3)cnc21.
What is the InChIKey of 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is MGOHOQODULBLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-5-26-17-14(12-22-26)16(23-13-9-7-6-8-10-13)15(11-21-17)18-24-25-19(27-18)20(2,3)4/h6-12H,5H2,1-4H3,(H,21,23).
What are the key properties of 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 67528400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).