N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

C23H19N5O4S — CID 24514109

About N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 24514109) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
• PubChem CID: 24514109
• Molecular Formula: C23H19N5O4S
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.12
• IUPAC Name: N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
• SMILES: Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C23H19N5O4S/c1-14-20(28-10-3-2-6-19(28)25-14)22(30)27-26-21(29)16-5-4-9-24-23(16)33-15-7-8-17-18(13-15)32-12-11-31-17/h2-10,13H,11-12H2,1H3,(H,26,29)(H,27,30)
• InChIKey: IOCMGDJWIGDRGT-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 106.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.50
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?

The IUPAC name of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (CID 24514109) is N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

What is the SMILES notation for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?

The canonical SMILES for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2.

What is the InChIKey of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?

The InChIKey is IOCMGDJWIGDRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S/c1-14-20(28-10-3-2-6-19(28)25-14)22(30)27-26-21(29)16-5-4-9-24-23(16)33-15-7-8-17-18(13-15)32-12-11-31-17/h2-10,13H,11-12H2,1H3,(H,26,29)(H,27,30).

What are the key properties of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?

N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 461.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 24514109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).