tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate

C20H36N4O5Si — CID 155641048

IUPACtert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(c(C(=O)NCCO[Si](C)(C)C(C)(C)C)[nH]c2=O)C1
InChIInChI=1S/C20H36N4O5Si/c1-19(2,3)29-18(27)23-10-11-24-14(13-23)15(22-17(24)26)16(25)21-9-12-28-30(7,8)20(4,5)6/h9-13H2,1-8H3,(H,21,25)(H,22,26)
InChIKeyOHNCFSISSLRALL-UHFFFAOYSA-N
MW440.62 g/mol
LogP2.68
Rot. Bonds5

About tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 155641048) has the molecular formula C20H36N4O5Si and a molecular weight of 440.62 g/mol. Its IUPAC name is tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID155641048
Molecular FormulaC20H36N4O5Si
Molecular Weight440.62 g/mol
Exact Mass440.25
IUPAC Nametert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(c(C(=O)NCCO[Si](C)(C)C(C)(C)C)[nH]c2=O)C1
InChIInChI=1S/C20H36N4O5Si/c1-19(2,3)29-18(27)23-10-11-24-14(13-23)15(22-17(24)26)16(25)21-9-12-28-30(7,8)20(4,5)6/h9-13H2,1-8H3,(H,21,25)(H,22,26)
InChIKeyOHNCFSISSLRALL-UHFFFAOYSA-N
XLogP2.68
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

tert-butyl 3-(2-methoxyethylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 42873438
tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 156832842
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
CID 58007307
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopiperazine-1-carboxylate
CID 170904003
1-O-tert-butyl 5-O-methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 68506146
tert-butyl 3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 173053744
tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 157300836
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 150358551
tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 175692291
7-O-tert-butyl 1-O-ethyl 2-[3-amino-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate
CID 155641085
tert-butyl 2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 67500751
tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 156726522

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate (CID 155641048) is tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2c(c(C(=O)NCCO[Si](C)(C)C(C)(C)C)[nH]c2=O)C1.
What is the InChIKey of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is OHNCFSISSLRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O5Si/c1-19(2,3)29-18(27)23-10-11-24-14(13-23)15(22-17(24)26)16(25)21-9-12-28-30(7,8)20(4,5)6/h9-13H2,1-8H3,(H,21,25)(H,22,26).
What are the key properties of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 440.62 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethylcarbamoyl]-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 155641048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).