4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide

C22H35ClN4O2Si — CID 59292010

About 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide

4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide (PubChem CID 59292010) has the molecular formula C22H35ClN4O2Si and a molecular weight of 451.09 g/mol. Its IUPAC name is 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide.

Molecular Properties

• Compound Name: 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
• PubChem CID: 59292010
• Molecular Formula: C22H35ClN4O2Si
• Molecular Weight: 451.09 g/mol
• Exact Mass: 450.22
• IUPAC Name: 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
• SMILES: C[Si](C)(C)CCOCn1ccc2c(Cl)c(C(=O)NNC3CCCCCCC3)cnc21
• InChI: InChI=1S/C22H35ClN4O2Si/c1-30(2,3)14-13-29-16-27-12-11-18-20(23)19(15-24-21(18)27)22(28)26-25-17-9-7-5-4-6-8-10-17/h11-12,15,17,25H,4-10,13-14,16H2,1-3H3,(H,26,28)
• InChIKey: WSNZUSUXKYXWAW-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.09
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide?

The IUPAC name of 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide (CID 59292010) is 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide.

What is the SMILES notation for 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide?

The canonical SMILES for 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide is C[Si](C)(C)CCOCn1ccc2c(Cl)c(C(=O)NNC3CCCCCCC3)cnc21.

What is the InChIKey of 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide?

The InChIKey is WSNZUSUXKYXWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN4O2Si/c1-30(2,3)14-13-29-16-27-12-11-18-20(23)19(15-24-21(18)27)22(28)26-25-17-9-7-5-4-6-8-10-17/h11-12,15,17,25H,4-10,13-14,16H2,1-3H3,(H,26,28).

What are the key properties of 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide?

4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide has a molecular weight of 451.09 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 59292010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).