lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate

C97H116BrLiN28O20 — CID 162076238

About lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate

lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate (PubChem CID 162076238) has the molecular formula C97H116BrLiN28O20 and a molecular weight of 2081.02 g/mol. Its IUPAC name is lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate
• PubChem CID: 162076238
• Molecular Formula: C97H116BrLiN28O20
• Molecular Weight: 2081.02 g/mol
• Exact Mass: 2078.83
• IUPAC Name: lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate
• SMILES: CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2c(n1)CN(C)CC2.CCOC(=O)c1cn2c(n1)CNCC2.CCOC(=O)c1cn2ccncc2n1.CN1CCn2cc(C(=O)Cc3nc(-c4ccccc4)ccc3N)nc2C1.CN1CCn2cc(C(=O)Cc3nc(-c4ccccc4)ccc3[N+](=O)[O-])nc2C1.CN1CCn2cc(C(=O)O)nc2C1.CO.Nc1cnccn1.Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-].O.[Li+].[OH-]
• InChI: InChI=1S/C20H19N5O3.C20H21N5O.C11H9N3O2.C10H15N3O2.C9H13N3O2.C9H9N3O2.C8H11N3O2.C5H7BrO3.C4H5N3.CH4O.Li.2H2O/c1-23-9-10-24-12-17(22-20(24)13-23)19(26)11-16-18(25(27)28)8-7-15(21-16)14-5-3-2-4-6-14;1-24-9-10-25-12-18(23-20(25)13-24)19(26)11-17-15(21)7-8-16(22-17)14-5-3-2-4-6-14;12-11-10(14(15)16)7-6-9(13-11)8-4-2-1-3-5-8;1-3-15-10(14)8-6-13-5-4-12(2)7-9(13)11-8;2*1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;1-10-2-3-11-4-6(8(12)13)9-7(11)5-10;1-2-9-5(8)4(7)3-6;5-4-3-6-1-2-7-4;1-2;;;/h2-8,12H,9-11,13H2,1H3;2-8,12H,9-11,13,21H2,1H3;1-7H,(H2,12,13);6H,3-5,7H2,1-2H3;6,10H,2-5H2,1H3;3-6H,2H2,1H3;4H,2-3,5H2,1H3,(H,12,13);2-3H2,1H3;1-3H,(H2,5,7);2H,1H3;;2*1H2/q;;;;;;;;;;+1;;/p-1
• InChIKey: KBNOPZOCSACJEV-UHFFFAOYSA-M
• XLogP: 5.15
• TPSA: 648.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.02
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate?

The IUPAC name of lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate (CID 162076238) is lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate.

What is the SMILES notation for lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate?

The canonical SMILES for lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate is CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2c(n1)CN(C)CC2.CCOC(=O)c1cn2c(n1)CNCC2.CCOC(=O)c1cn2ccncc2n1.CN1CCn2cc(C(=O)Cc3nc(-c4ccccc4)ccc3N)nc2C1.CN1CCn2cc(C(=O)Cc3nc(-c4ccccc4)ccc3[N+](=O)[O-])nc2C1.CN1CCn2cc(C(=O)O)nc2C1.CO.Nc1cnccn1.Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-].O.[Li+].[OH-].

What is the InChIKey of lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate?

The InChIKey is KBNOPZOCSACJEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19N5O3.C20H21N5O.C11H9N3O2.C10H15N3O2.C9H13N3O2.C9H9N3O2.C8H11N3O2.C5H7BrO3.C4H5N3.CH4O.Li.2H2O/c1-23-9-10-24-12-17(22-20(24)13-23)19(26)11-16-18(25(27)28)8-7-15(21-16)14-5-3-2-4-6-14;1-24-9-10-25-12-18(23-20(25)13-24)19(26)11-17-15(21)7-8-16(22-17)14-5-3-2-4-6-14;12-11-10(14(15)16)7-6-9(13-11)8-4-2-1-3-5-8;1-3-15-10(14)8-6-13-5-4-12(2)7-9(13)11-8;2*1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;1-10-2-3-11-4-6(8(12)13)9-7(11)5-10;1-2-9-5(8)4(7)3-6;5-4-3-6-1-2-7-4;1-2;;;/h2-8,12H,9-11,13H2,1H3;2-8,12H,9-11,13,21H2,1H3;1-7H,(H2,12,13);6H,3-5,7H2,1-2H3;6,10H,2-5H2,1H3;3-6H,2H2,1H3;4H,2-3,5H2,1H3,(H,12,13);2-3H2,1H3;1-3H,(H2,5,7);2H,1H3;;2*1H2/q;;;;;;;;;;+1;;/p-1.

What are the key properties of lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate?

lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate has a molecular weight of 2081.02 g/mol, XLogP of 5.15, 21 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-(3-amino-6-phenyl-2-pyridinyl)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-(3-nitro-6-phenyl-2-pyridinyl)ethanone;3-nitro-6-phenylpyridin-2-amine;pyrazin-2-amine;hydroxide;hydrate is sourced from PubChem (CID 162076238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).