tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

C34H47FN6O4Si — CID 170693486

About tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (PubChem CID 170693486) has the molecular formula C34H47FN6O4Si and a molecular weight of 650.87 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• PubChem CID: 170693486
• Molecular Formula: C34H47FN6O4Si
• Molecular Weight: 650.87 g/mol
• Exact Mass: 650.34
• IUPAC Name: tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCN(c1cnc3c(C4=CCOCC4)nn(COCC[Si](C)(C)C)c3n1)CC2
• InChI: InChI=1S/C34H47FN6O4Si/c1-33(2,3)45-32(42)38-30-26-19-25(35)8-7-24(26)20-34(30)11-13-40(14-12-34)27-21-36-29-28(23-9-15-43-16-10-23)39-41(31(29)37-27)22-44-17-18-46(4,5)6/h7-9,19,21,30H,10-18,20,22H2,1-6H3,(H,38,42)/t30-/m1/s1
• InChIKey: FMHWRYWMBHWMHA-SSEXGKCCSA-N
• XLogP: 6.49
• TPSA: 103.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.87
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
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-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The IUPAC name of tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (CID 170693486) is tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The canonical SMILES for tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCN(c1cnc3c(C4=CCOCC4)nn(COCC[Si](C)(C)C)c3n1)CC2.

What is the InChIKey of tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The InChIKey is FMHWRYWMBHWMHA-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H47FN6O4Si/c1-33(2,3)45-32(42)38-30-26-19-25(35)8-7-24(26)20-34(30)11-13-40(14-12-34)27-21-36-29-28(23-9-15-43-16-10-23)39-41(31(29)37-27)22-44-17-18-46(4,5)6/h7-9,19,21,30H,10-18,20,22H2,1-6H3,(H,38,42)/t30-/m1/s1.

What are the key properties of tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate has a molecular weight of 650.87 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is sourced from PubChem (CID 170693486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).