N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide

C22H24N6O3S — CID 55800358

About N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 55800358) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide
• PubChem CID: 55800358
• Molecular Formula: C22H24N6O3S
• Molecular Weight: 452.54 g/mol
• Exact Mass: 452.16
• IUPAC Name: N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c2cnn(Cc3cccs3)c2n1
• InChI: InChI=1S/C22H24N6O3S/c1-14-11-17(18-12-23-28(19(18)24-14)13-16-3-2-10-32-16)21(30)26-6-8-27(9-7-26)22(31)20(29)25-15-4-5-15/h2-3,10-12,15H,4-9,13H2,1H3,(H,25,29)
• InChIKey: INMZYACMFJDKOB-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.54
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide?

The IUPAC name of N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide (CID 55800358) is N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide is Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c2cnn(Cc3cccs3)c2n1.

What is the InChIKey of N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide?

The InChIKey is INMZYACMFJDKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-14-11-17(18-12-23-28(19(18)24-14)13-16-3-2-10-32-16)21(30)26-6-8-27(9-7-26)22(31)20(29)25-15-4-5-15/h2-3,10-12,15H,4-9,13H2,1H3,(H,25,29).

What are the key properties of N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide?

N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 452.54 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 55800358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).