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

C22H20ClN5O2S — CID 55915321

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

N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55915321) has the molecular formula C22H20ClN5O2S and a molecular weight of 453.96 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55915321
• Molecular Formula: C22H20ClN5O2S
• Molecular Weight: 453.96 g/mol
• Exact Mass: 453.10
• IUPAC Name: N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1
• InChI: InChI=1S/C22H20ClN5O2S/c1-12(2)28-21-16(11-24-28)15(10-19(26-21)20-5-4-8-31-20)22(30)27-18-9-14(25-13(3)29)6-7-17(18)23/h4-12H,1-3H3,(H,25,29)(H,27,30)
• InChIKey: ZHNGLBDXCHODNJ-UHFFFAOYSA-N
• XLogP: 5.60
• 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	453.96
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55915321) is N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1.

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

The InChIKey is ZHNGLBDXCHODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2S/c1-12(2)28-21-16(11-24-28)15(10-19(26-21)20-5-4-8-31-20)22(30)27-18-9-14(25-13(3)29)6-7-17(18)23/h4-12H,1-3H3,(H,25,29)(H,27,30).

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

N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 453.96 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55915321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).