N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23N5O2S — CID 55782879

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55782879) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55782879
• Molecular Formula: C23H23N5O2S
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCNC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1
• InChI: InChI=1S/C23H23N5O2S/c1-5-24-22(29)15-9-8-13(2)17(11-15)26-23(30)16-12-18(19-7-6-10-31-19)25-21-20(16)14(3)27-28(21)4/h6-12H,5H2,1-4H3,(H,24,29)(H,26,30)
• InChIKey: AZOBPTSTOZXXTH-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55782879) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1.

What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is AZOBPTSTOZXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-5-24-22(29)15-9-8-13(2)17(11-15)26-23(30)16-12-18(19-7-6-10-31-19)25-21-20(16)14(3)27-28(21)4/h6-12H,5H2,1-4H3,(H,24,29)(H,26,30).

What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55782879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).