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

C19H20N6O — CID 67528705

IUPAC1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(-c3nnc(C(C)C)o3)cnc21
InChIInChI=1S/C19H20N6O/c1-4-25-17-14(11-21-25)16(22-13-8-6-5-7-9-13)15(10-20-17)19-24-23-18(26-19)12(2)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyWCRADSMWHYBCHB-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.37
Rot. Bonds5

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

1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 67528705) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID67528705
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(-c3nnc(C(C)C)o3)cnc21
InChIInChI=1S/C19H20N6O/c1-4-25-17-14(11-21-25)16(22-13-8-6-5-7-9-13)15(10-20-17)19-24-23-18(26-19)12(2)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyWCRADSMWHYBCHB-UHFFFAOYSA-N
XLogP4.37
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 67528705) is 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(Nc3ccccc3)c(-c3nnc(C(C)C)o3)cnc21.
What is the InChIKey of 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is WCRADSMWHYBCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-4-25-17-14(11-21-25)16(22-13-8-6-5-7-9-13)15(10-20-17)19-24-23-18(26-19)12(2)3/h5-12H,4H2,1-3H3,(H,20,22).
What are the key properties of 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-phenyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 67528705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).