1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine

C19H21N7O2S — CID 10070209

IUPAC1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4ccns4)o3)cnc21
InChIInChI=1S/C19H21N7O2S/c1-2-26-18-14(11-21-26)17(23-12-4-7-27-8-5-12)15(10-20-18)19-25-24-16(28-19)9-13-3-6-22-29-13/h3,6,10-12H,2,4-5,7-9H2,1H3,(H,20,23)
InChIKeyGNKXGXFQRFKSDH-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.14
Rot. Bonds6

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

1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 10070209) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
PubChem CID10070209
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4ccns4)o3)cnc21
InChIInChI=1S/C19H21N7O2S/c1-2-26-18-14(11-21-26)17(23-12-4-7-27-8-5-12)15(10-20-18)19-25-24-16(28-19)9-13-3-6-22-29-13/h3,6,10-12H,2,4-5,7-9H2,1H3,(H,20,23)
InChIKeyGNKXGXFQRFKSDH-UHFFFAOYSA-N
XLogP3.14
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]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-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine (CID 10070209) is 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4ccns4)o3)cnc21.
What is the InChIKey of 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is GNKXGXFQRFKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c1-2-26-18-14(11-21-26)17(23-12-4-7-27-8-5-12)15(10-20-18)19-25-24-16(28-19)9-13-3-6-22-29-13/h3,6,10-12H,2,4-5,7-9H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 411.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(oxan-4-yl)-5-[5-(1,2-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 10070209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).