N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide

C23H36N6O4SSi — CID 174022057

About N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide

N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide (PubChem CID 174022057) has the molecular formula C23H36N6O4SSi and a molecular weight of 520.73 g/mol. Its IUPAC name is N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide
• PubChem CID: 174022057
• Molecular Formula: C23H36N6O4SSi
• Molecular Weight: 520.73 g/mol
• Exact Mass: 520.23
• IUPAC Name: N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)NC1CC(Nc2c(-c3nnc(C)o3)cnc3c2ccn3COCC[Si](C)(C)C)C1
• InChI: InChI=1S/C23H36N6O4SSi/c1-6-10-34(30,31)28-18-12-17(13-18)25-21-19-7-8-29(15-32-9-11-35(3,4)5)22(19)24-14-20(21)23-27-26-16(2)33-23/h7-8,14,17-18,28H,6,9-13,15H2,1-5H3,(H,24,25)
• InChIKey: YPDBPCQORYZIGD-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 124.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.73
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide (CID 174022057) is N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CC(Nc2c(-c3nnc(C)o3)cnc3c2ccn3COCC[Si](C)(C)C)C1.

What is the InChIKey of N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide?

The InChIKey is YPDBPCQORYZIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O4SSi/c1-6-10-34(30,31)28-18-12-17(13-18)25-21-19-7-8-29(15-32-9-11-35(3,4)5)22(19)24-14-20(21)23-27-26-16(2)33-23/h7-8,14,17-18,28H,6,9-13,15H2,1-5H3,(H,24,25).

What are the key properties of N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide?

N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide has a molecular weight of 520.73 g/mol, XLogP of 3.98, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]propane-1-sulfonamide is sourced from PubChem (CID 174022057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).