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

C23H42N4O6Si — CID 155641085

IUPAC7-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
SMILESCCOC(=O)c1c2n(c(=O)n1CC(CN)O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C23H42N4O6Si/c1-10-31-19(28)18-17-15-25(21(30)32-22(2,3)4)11-12-26(17)20(29)27(18)14-16(13-24)33-34(8,9)23(5,6)7/h16H,10-15,24H2,1-9H3
InChIKeyJYXGMAUYIOLEEH-UHFFFAOYSA-N
MW498.70 g/mol
LogP2.93
Rot. Bonds7

About 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

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 (PubChem CID 155641085) has the molecular formula C23H42N4O6Si and a molecular weight of 498.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID155641085
Molecular FormulaC23H42N4O6Si
Molecular Weight498.70 g/mol
Exact Mass498.29
IUPAC Name7-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
SMILESCCOC(=O)c1c2n(c(=O)n1CC(CN)O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C23H42N4O6Si/c1-10-31-19(28)18-17-15-25(21(30)32-22(2,3)4)11-12-26(17)20(29)27(18)14-16(13-24)33-34(8,9)23(5,6)7/h16H,10-15,24H2,1-9H3
InChIKeyJYXGMAUYIOLEEH-UHFFFAOYSA-N
XLogP2.93
TPSA118.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c2n(c(=O)n1CC(CN)O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 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?
The InChIKey is JYXGMAUYIOLEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O6Si/c1-10-31-19(28)18-17-15-25(21(30)32-22(2,3)4)11-12-26(17)20(29)27(18)14-16(13-24)33-34(8,9)23(5,6)7/h16H,10-15,24H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 498.70 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155641085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).