2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide

C25H18N6O4 — CID 46426265

About 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide

2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 46426265) has the molecular formula C25H18N6O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide
• PubChem CID: 46426265
• Molecular Formula: C25H18N6O4
• Molecular Weight: 466.46 g/mol
• Exact Mass: 466.14
• IUPAC Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide
• SMILES: O=C(Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)Nc1ccccc1-c1ccccc1
• InChI: InChI=1S/C25H18N6O4/c32-23(28-20-11-5-4-10-18(20)17-8-2-1-3-9-17)15-29-16-26-24-19(25(29)33)14-27-30(24)21-12-6-7-13-22(21)31(34)35/h1-14,16H,15H2,(H,28,32)
• InChIKey: GWLICUGTBSSDJP-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 124.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.46
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide?

The IUPAC name of 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide (CID 46426265) is 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide.

What is the SMILES notation for 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide?

The canonical SMILES for 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide is O=C(Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)Nc1ccccc1-c1ccccc1.

What is the InChIKey of 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide?

The InChIKey is GWLICUGTBSSDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O4/c32-23(28-20-11-5-4-10-18(20)17-8-2-1-3-9-17)15-29-16-26-24-19(25(29)33)14-27-30(24)21-12-6-7-13-22(21)31(34)35/h1-14,16H,15H2,(H,28,32).

What are the key properties of 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide?

2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 466.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 46426265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).