N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H28N4OS — CID 18287987

About N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18287987) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 18287987
• Molecular Formula: C25H28N4OS
• Molecular Weight: 432.59 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCC(C)N(Cc1ccccc1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C25H28N4OS/c1-5-18(4)28(16-19-10-7-6-8-11-19)25(30)20-14-22(23-12-9-13-31-23)27-24-21(20)15-26-29(24)17(2)3/h6-15,17-18H,5,16H2,1-4H3
• InChIKey: FJLLKCBWQQMVFB-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 18287987) is N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C.

What is the InChIKey of N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is FJLLKCBWQQMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-5-18(4)28(16-19-10-7-6-8-11-19)25(30)20-14-22(23-12-9-13-31-23)27-24-21(20)15-26-29(24)17(2)3/h6-15,17-18H,5,16H2,1-4H3.

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

N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18287987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).