N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H22N6O2S — CID 55700281

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55700281) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55700281
• Molecular Formula: C24H22N6O2S
• Molecular Weight: 458.55 g/mol
• Exact Mass: 458.15
• IUPAC Name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)no1
• InChI: InChI=1S/C24H22N6O2S/c1-13(2)30-23-18(12-25-30)17(11-20(27-23)21-10-9-14(3)33-21)24(31)28-19-8-6-5-7-16(19)22-26-15(4)32-29-22/h5-13H,1-4H3,(H,28,31)
• InChIKey: YMEWNVFBFJDFMP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.55
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55700281) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)no1.

What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is YMEWNVFBFJDFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-13(2)30-23-18(12-25-30)17(11-20(27-23)21-10-9-14(3)33-21)24(31)28-19-8-6-5-7-16(19)22-26-15(4)32-29-22/h5-13H,1-4H3,(H,28,31).

What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 458.55 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55700281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).