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

C35H49ClN8O4Si — CID 175800402

About tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]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-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 175800402) has the molecular formula C35H49ClN8O4Si and a molecular weight of 709.37 g/mol. Its IUPAC name is tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]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-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
• PubChem CID: 175800402
• Molecular Formula: C35H49ClN8O4Si
• Molecular Weight: 709.37 g/mol
• Exact Mass: 708.33
• IUPAC Name: tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
• SMILES: CN(C)C(=O)Cn1cc2c(Cl)c(-c3cn(COCC[Si](C)(C)C)c4nc(N5C6CCC5CC(NC(=O)OC(C)(C)C)C6)cnc34)ccc2n1
• InChI: InChI=1S/C35H49ClN8O4Si/c1-35(2,3)48-34(46)38-22-15-23-9-10-24(16-22)44(23)29-17-37-32-26(18-42(33(32)39-29)21-47-13-14-49(6,7)8)25-11-12-28-27(31(25)36)19-43(40-28)20-30(45)41(4)5/h11-12,17-19,22-24H,9-10,13-16,20-21H2,1-8H3,(H,38,46)
• InChIKey: BOBSRJPQFHUHHS-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 119.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.37
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[2-(dimethylamino)-2-oxoethyl]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-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (CID 175800402) is tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]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-[2-(dimethylamino)-2-oxoethyl]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-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate is CN(C)C(=O)Cn1cc2c(Cl)c(-c3cn(COCC[Si](C)(C)C)c4nc(N5C6CCC5CC(NC(=O)OC(C)(C)C)C6)cnc34)ccc2n1.

What is the InChIKey of tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]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 BOBSRJPQFHUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49ClN8O4Si/c1-35(2,3)48-34(46)38-22-15-23-9-10-24(16-22)44(23)29-17-37-32-26(18-42(33(32)39-29)21-47-13-14-49(6,7)8)25-11-12-28-27(31(25)36)19-43(40-28)20-30(45)41(4)5/h11-12,17-19,22-24H,9-10,13-16,20-21H2,1-8H3,(H,38,46).

What are the key properties of tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]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-[2-(dimethylamino)-2-oxoethyl]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 709.37 g/mol, XLogP of 6.53, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]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 175800402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).