N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide

C26H19N5O2S2 — CID 22978232

About N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide

N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide (PubChem CID 22978232) has the molecular formula C26H19N5O2S2 and a molecular weight of 497.61 g/mol. Its IUPAC name is N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide
• PubChem CID: 22978232
• Molecular Formula: C26H19N5O2S2
• Molecular Weight: 497.61 g/mol
• Exact Mass: 497.10
• IUPAC Name: N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide
• SMILES: O=C(NNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)c1cccs1
• InChI: InChI=1S/C26H19N5O2S2/c32-25(30-31-26(33)24-9-5-15-34-24)20-7-1-2-8-23(20)35-18-11-12-19-21(28-29-22(19)16-18)13-10-17-6-3-4-14-27-17/h1-16H,(H,28,29)(H,30,32)(H,31,33)/b13-10+
• InChIKey: IUJBKLDZTUHJTQ-JLHYYAGUSA-N
• XLogP: 5.42
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.61
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide?

The IUPAC name of N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide (CID 22978232) is N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide.

What is the SMILES notation for N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide?

The canonical SMILES for N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)c1cccs1.

What is the InChIKey of N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide?

The InChIKey is IUJBKLDZTUHJTQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H19N5O2S2/c32-25(30-31-26(33)24-9-5-15-34-24)20-7-1-2-8-23(20)35-18-11-12-19-21(28-29-22(19)16-18)13-10-17-6-3-4-14-27-17/h1-16H,(H,28,29)(H,30,32)(H,31,33)/b13-10+.

What are the key properties of N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide?

N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide has a molecular weight of 497.61 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 22978232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).