N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide

C24H30N6O2 — CID 30458644

About N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 30458644) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
• PubChem CID: 30458644
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
• InChI: InChI=1S/C24H30N6O2/c1-17(2)30-23-20(15-26-30)13-21(18(3)27-23)24(32)29-11-9-28(10-12-29)16-22(31)25-14-19-7-5-4-6-8-19/h4-8,13,15,17H,9-12,14,16H2,1-3H3,(H,25,31)
• InChIKey: MHIQSPJNNROMCY-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?

The IUPAC name of N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide (CID 30458644) is N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.

What is the InChIKey of N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?

The InChIKey is MHIQSPJNNROMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17(2)30-23-20(15-26-30)13-21(18(3)27-23)24(32)29-11-9-28(10-12-29)16-22(31)25-14-19-7-5-4-6-8-19/h4-8,13,15,17H,9-12,14,16H2,1-3H3,(H,25,31).

What are the key properties of N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?

N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30458644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).