[6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane

C34H53FIN5O2Si2 — CID 175514505

IUPAC[6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1nc2c(I)nn(COCC[Si](C)(C)C)c2nc1N1CCC2(CC1)Cc1ccc(F)cc1C2)(C(C)C)C(C)C
InChIInChI=1S/C34H53FIN5O2Si2/c1-23(2)45(24(3)4,25(5)6)43-21-29-32(38-33-30(37-29)31(36)39-41(33)22-42-16-17-44(7,8)9)40-14-12-34(13-15-40)19-26-10-11-28(35)18-27(26)20-34/h10-11,18,23-25H,12-17,19-22H2,1-9H3
InChIKeyFUQCAXYQBHGPIS-UHFFFAOYSA-N
MW765.90 g/mol
LogP8.96
Rot. Bonds12

About [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane

[6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 175514505) has the molecular formula C34H53FIN5O2Si2 and a molecular weight of 765.90 g/mol. Its IUPAC name is [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane
PubChem CID175514505
Molecular FormulaC34H53FIN5O2Si2
Molecular Weight765.90 g/mol
Exact Mass765.28
IUPAC Name[6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1nc2c(I)nn(COCC[Si](C)(C)C)c2nc1N1CCC2(CC1)Cc1ccc(F)cc1C2)(C(C)C)C(C)C
InChIInChI=1S/C34H53FIN5O2Si2/c1-23(2)45(24(3)4,25(5)6)43-21-29-32(38-33-30(37-29)31(36)39-41(33)22-42-16-17-44(7,8)9)40-14-12-34(13-15-40)19-26-10-11-28(35)18-27(26)20-34/h10-11,18,23-25H,12-17,19-22H2,1-9H3
InChIKeyFUQCAXYQBHGPIS-UHFFFAOYSA-N
XLogP8.96
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.90
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane (CID 175514505) is [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1nc2c(I)nn(COCC[Si](C)(C)C)c2nc1N1CCC2(CC1)Cc1ccc(F)cc1C2)(C(C)C)C(C)C.
What is the InChIKey of [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is FUQCAXYQBHGPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53FIN5O2Si2/c1-23(2)45(24(3)4,25(5)6)43-21-29-32(38-33-30(37-29)31(36)39-41(33)22-42-16-17-44(7,8)9)40-14-12-34(13-15-40)19-26-10-11-28(35)18-27(26)20-34/h10-11,18,23-25H,12-17,19-22H2,1-9H3.
What are the key properties of [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane?
[6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 765.90 g/mol, XLogP of 8.96, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 175514505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).