N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23N5O2S — CID 46550778

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

N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46550778) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 46550778
• Molecular Formula: C23H23N5O2S
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1C
• InChI: InChI=1S/C23H23N5O2S/c1-13(2)28-22-18(12-24-28)17(11-20(27-22)21-6-5-9-31-21)23(30)26-16-7-8-19(14(3)10-16)25-15(4)29/h5-13H,1-4H3,(H,25,29)(H,26,30)
• InChIKey: NJYVLVWQPJDVSI-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46550778) is N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1C.

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

The InChIKey is NJYVLVWQPJDVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-13(2)28-22-18(12-24-28)17(11-20(27-22)21-6-5-9-31-21)23(30)26-16-7-8-19(14(3)10-16)25-15(4)29/h5-13H,1-4H3,(H,25,29)(H,26,30).

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

N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46550778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).