tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

C35H46ClN9O4Si — CID 175800158

About tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 175800158) has the molecular formula C35H46ClN9O4Si and a molecular weight of 720.35 g/mol. Its IUPAC name is tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
• PubChem CID: 175800158
• Molecular Formula: C35H46ClN9O4Si
• Molecular Weight: 720.35 g/mol
• Exact Mass: 719.31
• IUPAC Name: tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
• SMILES: Cc1noc(Cn2cc3c(Cl)c(-c4cn(COCC[Si](C)(C)C)c5nc(N6C7CCC6CC(NC(=O)OC(C)(C)C)C7)cnc45)ccc3n2)n1
• InChI: InChI=1S/C35H46ClN9O4Si/c1-21-38-30(49-42-21)19-44-18-27-28(41-44)11-10-25(31(27)36)26-17-43(20-47-12-13-50(5,6)7)33-32(26)37-16-29(40-33)45-23-8-9-24(45)15-22(14-23)39-34(46)48-35(2,3)4/h10-11,16-18,22-24H,8-9,12-15,19-20H2,1-7H3,(H,39,46)
• InChIKey: PGGJPOBESSJCLU-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 138.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	720.35
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

The IUPAC name of tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (CID 175800158) is tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate is Cc1noc(Cn2cc3c(Cl)c(-c4cn(COCC[Si](C)(C)C)c5nc(N6C7CCC6CC(NC(=O)OC(C)(C)C)C7)cnc45)ccc3n2)n1.

What is the InChIKey of tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

The InChIKey is PGGJPOBESSJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46ClN9O4Si/c1-21-38-30(49-42-21)19-44-18-27-28(41-44)11-10-25(31(27)36)26-17-43(20-47-12-13-50(5,6)7)33-32(26)37-16-29(40-33)45-23-8-9-24(45)15-22(14-23)39-34(46)48-35(2,3)4/h10-11,16-18,22-24H,8-9,12-15,19-20H2,1-7H3,(H,39,46).

What are the key properties of tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate has a molecular weight of 720.35 g/mol, XLogP of 7.18, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[8-[7-[4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate is sourced from PubChem (CID 175800158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).