(1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate

C27H44N6O6Si — CID 158698305

IUPAC(1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC1(O[Si](C)(C)C)CC1.COC(=O)c1cn2c(n1)CN(C1CC1)CC2.COC(=O)c1cn2c(n1)CNCC2
InChIInChI=1S/C11H15N3O2.C8H11N3O2.C8H18O2Si/c1-16-11(15)9-6-14-5-4-13(8-2-3-8)7-10(14)12-9;1-13-8(12)6-5-11-3-2-9-4-7(11)10-6;1-5-9-8(6-7-8)10-11(2,3)4/h6,8H,2-5,7H2,1H3;5,9H,2-4H2,1H3;5-7H2,1-4H3
InChIKeyIHFJOFLWICLFDQ-UHFFFAOYSA-N
MW576.77 g/mol
LogP2.79
Rot. Bonds7

About (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate

(1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 158698305) has the molecular formula C27H44N6O6Si and a molecular weight of 576.77 g/mol. Its IUPAC name is (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Name(1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID158698305
Molecular FormulaC27H44N6O6Si
Molecular Weight576.77 g/mol
Exact Mass576.31
IUPAC Name(1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC1(O[Si](C)(C)C)CC1.COC(=O)c1cn2c(n1)CN(C1CC1)CC2.COC(=O)c1cn2c(n1)CNCC2
InChIInChI=1S/C11H15N3O2.C8H11N3O2.C8H18O2Si/c1-16-11(15)9-6-14-5-4-13(8-2-3-8)7-10(14)12-9;1-13-8(12)6-5-11-3-2-9-4-7(11)10-6;1-5-9-8(6-7-8)10-11(2,3)4/h6,8H,2-5,7H2,1H3;5,9H,2-4H2,1H3;5-7H2,1-4H3
InChIKeyIHFJOFLWICLFDQ-UHFFFAOYSA-N
XLogP2.79
TPSA121.97 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate (CID 158698305) is (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate is CCOC1(O[Si](C)(C)C)CC1.COC(=O)c1cn2c(n1)CN(C1CC1)CC2.COC(=O)c1cn2c(n1)CNCC2.
What is the InChIKey of (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is IHFJOFLWICLFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C8H11N3O2.C8H18O2Si/c1-16-11(15)9-6-14-5-4-13(8-2-3-8)7-10(14)12-9;1-13-8(12)6-5-11-3-2-9-4-7(11)10-6;1-5-9-8(6-7-8)10-11(2,3)4/h6,8H,2-5,7H2,1H3;5,9H,2-4H2,1H3;5-7H2,1-4H3.
What are the key properties of (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
(1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 576.77 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 158698305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).