ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate

C22H34N4O3Si — CID 142408656

IUPACethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2ccn3COCC[Si](C)(C)C)CC12CC2
InChIInChI=1S/C22H34N4O3Si/c1-5-29-21(27)18-7-11-25(14-22(18)8-9-22)19-17-6-10-26(20(17)24-15-23-19)16-28-12-13-30(2,3)4/h6,10,15,18H,5,7-9,11-14,16H2,1-4H3
InChIKeyGQILYKCYCZFONW-UHFFFAOYSA-N
MW430.63 g/mol
LogP3.91
Rot. Bonds8

About ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate

ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate (PubChem CID 142408656) has the molecular formula C22H34N4O3Si and a molecular weight of 430.63 g/mol. Its IUPAC name is ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate
PubChem CID142408656
Molecular FormulaC22H34N4O3Si
Molecular Weight430.63 g/mol
Exact Mass430.24
IUPAC Nameethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2ccn3COCC[Si](C)(C)C)CC12CC2
InChIInChI=1S/C22H34N4O3Si/c1-5-29-21(27)18-7-11-25(14-22(18)8-9-22)19-17-6-10-26(20(17)24-15-23-19)16-28-12-13-30(2,3)4/h6,10,15,18H,5,7-9,11-14,16H2,1-4H3
InChIKeyGQILYKCYCZFONW-UHFFFAOYSA-N
XLogP3.91
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 53.91
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'}

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Related Compounds

N-[(1S,2S)-1-(4-fluorophenyl)-1,3-dihydroxypropan-2-yl]-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxamide
CID 153308915
2-[[4-(1,7-diazaspiro[3.4]octan-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 172817129
(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 66765875
ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate
CID 164739909
8a-methyl-7-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3,4,4a,5,6,8-hexahydro-2H-2,7-naphthyridin-1-one
CID 153297374
(3aS,7aS)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonitrile
CID 152620993
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 153297382
2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;(3aS,7aS)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonitrile;(3aR,7aR)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonitrile;methane
CID 158414674
2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;(3aS,7aS)-3a-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-sulfonamide;(3aS,7aS)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-sulfonamide;sulfamide
CID 158105341
5-bromo-N-methyl-N-[1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazin-2-amine
CID 87139795
trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 141424330

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate?
The IUPAC name of ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate (CID 142408656) is ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate.
What is the SMILES notation for ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate?
The canonical SMILES for ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate is CCOC(=O)C1CCN(c2ncnc3c2ccn3COCC[Si](C)(C)C)CC12CC2.
What is the InChIKey of ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate?
The InChIKey is GQILYKCYCZFONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3Si/c1-5-29-21(27)18-7-11-25(14-22(18)8-9-22)19-17-6-10-26(20(17)24-15-23-19)16-28-12-13-30(2,3)4/h6,10,15,18H,5,7-9,11-14,16H2,1-4H3.
What are the key properties of ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate?
ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate has a molecular weight of 430.63 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate is sourced from PubChem (CID 142408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).