4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide

C22H16N10O6 — CID 22889882

About 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide

4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide (PubChem CID 22889882) has the molecular formula C22H16N10O6 and a molecular weight of 516.43 g/mol. Its IUPAC name is 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide.

Molecular Properties

• Compound Name: 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide
• PubChem CID: 22889882
• Molecular Formula: C22H16N10O6
• Molecular Weight: 516.43 g/mol
• Exact Mass: 516.13
• IUPAC Name: 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide
• SMILES: O=C(NNc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cccc32)cc1)n1ncc2c([N+](=O)[O-])cccc21
• InChI: InChI=1S/C22H16N10O6/c33-21(29-17-3-1-5-19(31(35)36)15(17)11-23-29)27-25-13-7-9-14(10-8-13)26-28-22(34)30-18-4-2-6-20(32(37)38)16(18)12-24-30/h1-12,25-26H,(H,27,33)(H,28,34)
• InChIKey: PIZFKJZFKGPFFD-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 204.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide?

The IUPAC name of 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide (CID 22889882) is 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide.

What is the SMILES notation for 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide?

The canonical SMILES for 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide is O=C(NNc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cccc32)cc1)n1ncc2c([N+](=O)[O-])cccc21.

What is the InChIKey of 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide?

The InChIKey is PIZFKJZFKGPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N10O6/c33-21(29-17-3-1-5-19(31(35)36)15(17)11-23-29)27-25-13-7-9-14(10-8-13)26-28-22(34)30-18-4-2-6-20(32(37)38)16(18)12-24-30/h1-12,25-26H,(H,27,33)(H,28,34).

What are the key properties of 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide?

4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide has a molecular weight of 516.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide is sourced from PubChem (CID 22889882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).