2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide

C29H29N7O3 — CID 23552224

About 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide

2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide (PubChem CID 23552224) has the molecular formula C29H29N7O3 and a molecular weight of 523.60 g/mol. Its IUPAC name is 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide
• PubChem CID: 23552224
• Molecular Formula: C29H29N7O3
• Molecular Weight: 523.60 g/mol
• Exact Mass: 523.23
• IUPAC Name: 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide
• SMILES: Cc1noc2nc(CNC(=O)Cn3c(C)cnc(NN(Cc4ccccc4)Cc4ccccc4)c3=O)ccc12
• InChI: InChI=1S/C29H29N7O3/c1-20-15-31-27(33-35(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23)29(38)36(20)19-26(37)30-16-24-13-14-25-21(2)34-39-28(25)32-24/h3-15H,16-19H2,1-2H3,(H,30,37)(H,31,33)
• InChIKey: QKVHNZQAXGLKSH-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 118.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide?

The IUPAC name of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide (CID 23552224) is 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide.

What is the SMILES notation for 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide?

The canonical SMILES for 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide is Cc1noc2nc(CNC(=O)Cn3c(C)cnc(NN(Cc4ccccc4)Cc4ccccc4)c3=O)ccc12.

What is the InChIKey of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide?

The InChIKey is QKVHNZQAXGLKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3/c1-20-15-31-27(33-35(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23)29(38)36(20)19-26(37)30-16-24-13-14-25-21(2)34-39-28(25)32-24/h3-15H,16-19H2,1-2H3,(H,30,37)(H,31,33).

What are the key properties of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide?

2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide has a molecular weight of 523.60 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 23552224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).