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

C23H20N6O2S2 — CID 134036856

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

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134036856) has the molecular formula C23H20N6O2S2 and a molecular weight of 476.59 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 134036856
• Molecular Formula: C23H20N6O2S2
• Molecular Weight: 476.59 g/mol
• Exact Mass: 476.11
• IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(=O)Nc1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4c3cnn4C(C)C)sc2c1
• InChI: InChI=1S/C23H20N6O2S2/c1-12(2)29-21-16(11-24-29)15(10-18(26-21)19-5-4-8-32-19)22(31)28-23-27-17-7-6-14(25-13(3)30)9-20(17)33-23/h4-12H,1-3H3,(H,25,30)(H,27,28,31)
• InChIKey: BRSOSDYHMWGJLX-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.59
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134036856) is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4c3cnn4C(C)C)sc2c1.

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

The InChIKey is BRSOSDYHMWGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S2/c1-12(2)29-21-16(11-24-29)15(10-18(26-21)19-5-4-8-32-19)22(31)28-23-27-17-7-6-14(25-13(3)30)9-20(17)33-23/h4-12H,1-3H3,(H,25,30)(H,27,28,31).

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

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134036856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).