2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole

C22H21N7O — CID 170759510

IUPAC2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc(-c3ccnn3CC)nc3c2c(C)nn3-c2ccccc2)o1
InChIInChI=1S/C22H21N7O/c1-4-19-25-26-22(30-19)16-13-17(18-11-12-23-28(18)5-2)24-21-20(16)14(3)27-29(21)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeySIQVXGYGFKDBCL-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.22
Rot. Bonds5

About 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole

2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole (PubChem CID 170759510) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole
PubChem CID170759510
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc(-c3ccnn3CC)nc3c2c(C)nn3-c2ccccc2)o1
InChIInChI=1S/C22H21N7O/c1-4-19-25-26-22(30-19)16-13-17(18-11-12-23-28(18)5-2)24-21-20(16)14(3)27-29(21)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeySIQVXGYGFKDBCL-UHFFFAOYSA-N
XLogP4.22
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole 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 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole (CID 170759510) is 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole is CCc1nnc(-c2cc(-c3ccnn3CC)nc3c2c(C)nn3-c2ccccc2)o1.
What is the InChIKey of 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole?
The InChIKey is SIQVXGYGFKDBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-4-19-25-26-22(30-19)16-13-17(18-11-12-23-28(18)5-2)24-21-20(16)14(3)27-29(21)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole?
2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole has a molecular weight of 399.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170759510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).