1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine

C15H20N6O — CID 67530047

IUPAC1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NCC(C)C)c(-c3nnc(C)o3)cnc21
InChIInChI=1S/C15H20N6O/c1-5-21-14-11(8-18-21)13(16-6-9(2)3)12(7-17-14)15-20-19-10(4)22-15/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyZSRYLGURRJAFGU-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.88
Rot. Bonds5

About 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 67530047) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID67530047
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NCC(C)C)c(-c3nnc(C)o3)cnc21
InChIInChI=1S/C15H20N6O/c1-5-21-14-11(8-18-21)13(16-6-9(2)3)12(7-17-14)15-20-19-10(4)22-15/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyZSRYLGURRJAFGU-UHFFFAOYSA-N
XLogP2.88
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine (CID 67530047) is 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NCC(C)C)c(-c3nnc(C)o3)cnc21.
What is the InChIKey of 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is ZSRYLGURRJAFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-5-21-14-11(8-18-21)13(16-6-9(2)3)12(7-17-14)15-20-19-10(4)22-15/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 67530047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).