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

C21H19N7O — CID 170759455

IUPAC2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1nccc1-c1cc(-c2nnc(C)o2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C21H19N7O/c1-4-27-18(10-11-22-27)17-12-16(21-25-24-14(3)29-21)19-13(2)26-28(20(19)23-17)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyBULZEFUQYYYONX-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.97
Rot. Bonds4

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

2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 170759455) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID170759455
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1nccc1-c1cc(-c2nnc(C)o2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C21H19N7O/c1-4-27-18(10-11-22-27)17-12-16(21-25-24-14(3)29-21)19-13(2)26-28(20(19)23-17)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyBULZEFUQYYYONX-UHFFFAOYSA-N
XLogP3.97
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-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-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole (CID 170759455) is 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole is CCn1nccc1-c1cc(-c2nnc(C)o2)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is BULZEFUQYYYONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-4-27-18(10-11-22-27)17-12-16(21-25-24-14(3)29-21)19-13(2)26-28(20(19)23-17)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3.
What are the key properties of 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole?
2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 385.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 170759455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).