ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine

C73H78BrF2N25O8 — CID 159282798

IUPACethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine
SMILESC1CNCCN1.CC(=O)CC(=O)c1cn2cc(C)ncc2n1.CC(=O)c1cn2cc(C)ncc2n1.CCOC(=O)C(=O)CBr.Cc1cn2cc(-c3cc(=O)n4cc(F)ccc4n3)nc2cn1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)nc2cn1.Cc1cnc(N)cn1.Nc1ccc(F)cn1
InChIInChI=1S/C19H19N7O.C15H10FN5O.C11H11N3O2.C9H9N3O.C5H7BrO3.C5H5FN2.C5H7N3.C4H10N2/c1-13-10-25-12-16(23-18(25)9-21-13)15-8-19(27)26-11-14(2-3-17(26)22-15)24-6-4-20-5-7-24;1-9-6-20-8-12(19-14(20)5-17-9)11-4-15(22)21-7-10(16)2-3-13(21)18-11;1-7-5-14-6-9(10(16)3-8(2)15)13-11(14)4-12-7;1-6-4-12-5-8(7(2)13)11-9(12)3-10-6;1-2-9-5(8)4(7)3-6;6-4-1-2-5(7)8-3-4;1-4-2-8-5(6)3-7-4;1-2-6-4-3-5-1/h2-3,8-12,20H,4-7H2,1H3;2-8H,1H3;4-6H,3H2,1-2H3;3-5H,1-2H3;2-3H2,1H3;1-3H,(H2,7,8);2-3H,1H3,(H2,6,8);5-6H,1-4H2
InChIKeyKZDCWYVUUAQEJP-UHFFFAOYSA-N
MW1551.49 g/mol
LogP6.28
Rot. Bonds10

About ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine

ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine (PubChem CID 159282798) has the molecular formula C73H78BrF2N25O8 and a molecular weight of 1551.49 g/mol. Its IUPAC name is ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine.

Molecular Properties

Compound Nameethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine
PubChem CID159282798
Molecular FormulaC73H78BrF2N25O8
Molecular Weight1551.49 g/mol
Exact Mass1549.56
IUPAC Nameethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine
SMILESC1CNCCN1.CC(=O)CC(=O)c1cn2cc(C)ncc2n1.CC(=O)c1cn2cc(C)ncc2n1.CCOC(=O)C(=O)CBr.Cc1cn2cc(-c3cc(=O)n4cc(F)ccc4n3)nc2cn1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)nc2cn1.Cc1cnc(N)cn1.Nc1ccc(F)cn1
InChIInChI=1S/C19H19N7O.C15H10FN5O.C11H11N3O2.C9H9N3O.C5H7BrO3.C5H5FN2.C5H7N3.C4H10N2/c1-13-10-25-12-16(23-18(25)9-21-13)15-8-19(27)26-11-14(2-3-17(26)22-15)24-6-4-20-5-7-24;1-9-6-20-8-12(19-14(20)5-17-9)11-4-15(22)21-7-10(16)2-3-13(21)18-11;1-7-5-14-6-9(10(16)3-8(2)15)13-11(14)4-12-7;1-6-4-12-5-8(7(2)13)11-9(12)3-10-6;1-2-9-5(8)4(7)3-6;6-4-1-2-5(7)8-3-4;1-4-2-8-5(6)3-7-4;1-2-6-4-3-5-1/h2-3,8-12,20H,4-7H2,1H3;2-8H,1H3;4-6H,3H2,1-2H3;3-5H,1-2H3;2-3H2,1H3;1-3H,(H2,7,8);2-3H,1H3,(H2,6,8);5-6H,1-4H2
InChIKeyKZDCWYVUUAQEJP-UHFFFAOYSA-N
XLogP6.28
TPSA414.12 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds10
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.49
LogP ≤ 56.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine with MolForge

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Related Compounds

Ethanol;ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyridin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyridin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyridin-2-amine;piperazine
CID 157177677
5-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide;tert-butyl N-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-2-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate;5-[(3R)-3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 168389758

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine?
The IUPAC name of ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine (CID 159282798) is ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine.
What is the SMILES notation for ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine?
The canonical SMILES for ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine is C1CNCCN1.CC(=O)CC(=O)c1cn2cc(C)ncc2n1.CC(=O)c1cn2cc(C)ncc2n1.CCOC(=O)C(=O)CBr.Cc1cn2cc(-c3cc(=O)n4cc(F)ccc4n3)nc2cn1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)nc2cn1.Cc1cnc(N)cn1.Nc1ccc(F)cn1.
What is the InChIKey of ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine?
The InChIKey is KZDCWYVUUAQEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O.C15H10FN5O.C11H11N3O2.C9H9N3O.C5H7BrO3.C5H5FN2.C5H7N3.C4H10N2/c1-13-10-25-12-16(23-18(25)9-21-13)15-8-19(27)26-11-14(2-3-17(26)22-15)24-6-4-20-5-7-24;1-9-6-20-8-12(19-14(20)5-17-9)11-4-15(22)21-7-10(16)2-3-13(21)18-11;1-7-5-14-6-9(10(16)3-8(2)15)13-11(14)4-12-7;1-6-4-12-5-8(7(2)13)11-9(12)3-10-6;1-2-9-5(8)4(7)3-6;6-4-1-2-5(7)8-3-4;1-4-2-8-5(6)3-7-4;1-2-6-4-3-5-1/h2-3,8-12,20H,4-7H2,1H3;2-8H,1H3;4-6H,3H2,1-2H3;3-5H,1-2H3;2-3H2,1H3;1-3H,(H2,7,8);2-3H,1H3,(H2,6,8);5-6H,1-4H2.
What are the key properties of ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine?
ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine has a molecular weight of 1551.49 g/mol, XLogP of 6.28, 10 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-2-oxopropanoate;7-fluoro-2-(6-methylimidazo[1,2-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)butane-1,3-dione;1-(6-methylimidazo[1,2-a]pyrazin-2-yl)ethanone;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;5-methylpyrazin-2-amine;piperazine is sourced from PubChem (CID 159282798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).