tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate

C26H35N3O4Si — CID 73013404

IUPACtert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)N(COCC[Si](C)(C)C)c2ncccc21
InChIInChI=1S/C26H35N3O4Si/c1-25(2,3)33-24(31)28-20-10-9-18-15-26(16-19(18)14-20)21-8-7-11-27-22(21)29(23(26)30)17-32-12-13-34(4,5)6/h7-11,14H,12-13,15-17H2,1-6H3,(H,28,31)/t26-/m1/s1
InChIKeyUFRJXAASIIJVBI-AREMUKBSSA-N
MW481.67 g/mol
LogP5.12
Rot. Bonds6

About tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate

tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate (PubChem CID 73013404) has the molecular formula C26H35N3O4Si and a molecular weight of 481.67 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate
PubChem CID73013404
Molecular FormulaC26H35N3O4Si
Molecular Weight481.67 g/mol
Exact Mass481.24
IUPAC Nametert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)N(COCC[Si](C)(C)C)c2ncccc21
InChIInChI=1S/C26H35N3O4Si/c1-25(2,3)33-24(31)28-20-10-9-18-15-26(16-19(18)14-20)21-8-7-11-27-22(21)29(23(26)30)17-32-12-13-34(4,5)6/h7-11,14H,12-13,15-17H2,1-6H3,(H,28,31)/t26-/m1/s1
InChIKeyUFRJXAASIIJVBI-AREMUKBSSA-N
XLogP5.12
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 87925267
(5R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[6,7-dihydro-4H-1-benzofuran-5,3'-pyrrolo[2,3-b]pyridine]-2-carboxylic acid
CID 175519777
tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
CID 152533189
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate
CID 171801319
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate
CID 151832153
(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid
CID 146524621
tert-butyl N-[(14S)-5-(methoxycarbonylamino)-9-oxo-16-(2-trimethylsilylethoxymethyl)-10-oxa-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-14-yl]carbamate
CID 123263810
tert-butyl 2-[2-[[2,2-dimethylpropanoyl-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]acetate
CID 159552116
tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate
CID 153489870
tert-butyl N-[5-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 66851624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate (CID 73013404) is tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)N(COCC[Si](C)(C)C)c2ncccc21.
What is the InChIKey of tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate?
The InChIKey is UFRJXAASIIJVBI-AREMUKBSSA-N. The full InChI is InChI=1S/C26H35N3O4Si/c1-25(2,3)33-24(31)28-20-10-9-18-15-26(16-19(18)14-20)21-8-7-11-27-22(21)29(23(26)30)17-32-12-13-34(4,5)6/h7-11,14H,12-13,15-17H2,1-6H3,(H,28,31)/t26-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate?
tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate has a molecular weight of 481.67 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate is sourced from PubChem (CID 73013404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).