tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate

C24H36N6O4Si — CID 164829632

About tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate

tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate (PubChem CID 164829632) has the molecular formula C24H36N6O4Si and a molecular weight of 500.68 g/mol. Its IUPAC name is tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
• PubChem CID: 164829632
• Molecular Formula: C24H36N6O4Si
• Molecular Weight: 500.68 g/mol
• Exact Mass: 500.26
• IUPAC Name: tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CC(Nc2c(-c3nnco3)cnc3c2ccn3COCC[Si](C)(C)C)C1
• InChI: InChI=1S/C24H36N6O4Si/c1-24(2,3)34-23(31)28-17-11-16(12-17)27-20-18-7-8-30(15-32-9-10-35(4,5)6)21(18)25-13-19(20)22-29-26-14-33-22/h7-8,13-14,16-17H,9-12,15H2,1-6H3,(H,25,27)(H,28,31)
• InChIKey: PDOIPCVVFGKPIQ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 116.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.68
LogP ≤ 5	4.87
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 tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?

The IUPAC name of tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate (CID 164829632) is tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate.

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

The canonical SMILES for tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2c(-c3nnco3)cnc3c2ccn3COCC[Si](C)(C)C)C1.

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

The InChIKey is PDOIPCVVFGKPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O4Si/c1-24(2,3)34-23(31)28-17-11-16(12-17)27-20-18-7-8-30(15-32-9-10-35(4,5)6)21(18)25-13-19(20)22-29-26-14-33-22/h7-8,13-14,16-17H,9-12,15H2,1-6H3,(H,25,27)(H,28,31).

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

tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate has a molecular weight of 500.68 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[[5-(1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 164829632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).