ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate

C15H23N3O3 — CID 116538037

IUPACethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)N1CCn2ccnc2C1)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-5-21-14(20)12(15(2,3)4)13(19)18-9-8-17-7-6-16-11(17)10-18/h6-7,12H,5,8-10H2,1-4H3
InChIKeyXSWDIFRVTHHYPD-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.45
Rot. Bonds3

About ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate

ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate (PubChem CID 116538037) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate
PubChem CID116538037
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)N1CCn2ccnc2C1)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-5-21-14(20)12(15(2,3)4)13(19)18-9-8-17-7-6-16-11(17)10-18/h6-7,12H,5,8-10H2,1-4H3
InChIKeyXSWDIFRVTHHYPD-UHFFFAOYSA-N
XLogP1.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate (CID 116538037) is ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate is CCOC(=O)C(C(=O)N1CCn2ccnc2C1)C(C)(C)C.
What is the InChIKey of ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate?
The InChIKey is XSWDIFRVTHHYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-21-14(20)12(15(2,3)4)13(19)18-9-8-17-7-6-16-11(17)10-18/h6-7,12H,5,8-10H2,1-4H3.
What are the key properties of ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate?
ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate has a molecular weight of 293.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate is sourced from PubChem (CID 116538037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).