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

C80H89BrF2N20O9 — CID 157177677

IUPACethanol;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
SMILESC1CNCCN1.CC(=O)CC(=O)c1cn2cc(C)ccc2n1.CC(=O)c1cn2cc(C)ccc2n1.CCO.CCOC(=O)C(=O)CBr.Cc1ccc(N)nc1.Cc1ccc2nc(-c3cc(=O)n4cc(F)ccc4n3)cn2c1.Cc1ccc2nc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cn2c1.Nc1ccc(F)cn1
InChIInChI=1S/C20H20N6O.C16H11FN4O.C12H12N2O2.C10H10N2O.C6H8N2.C5H7BrO3.C5H5FN2.C4H10N2.C2H6O/c1-14-2-4-18-23-17(13-25(18)11-14)16-10-20(27)26-12-15(3-5-19(26)22-16)24-8-6-21-7-9-24;1-10-2-4-14-19-13(9-20(14)7-10)12-6-16(22)21-8-11(17)3-5-15(21)18-12;1-8-3-4-12-13-10(7-14(12)6-8)11(16)5-9(2)15;1-7-3-4-10-11-9(8(2)13)6-12(10)5-7;1-5-2-3-6(7)8-4-5;1-2-9-5(8)4(7)3-6;6-4-1-2-5(7)8-3-4;1-2-6-4-3-5-1;1-2-3/h2-5,10-13,21H,6-9H2,1H3;2-9H,1H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;2-4H,1H3,(H2,7,8);2-3H2,1H3;1-3H,(H2,7,8);5-6H,1-4H2;3H,2H2,1H3
InChIKeyAOEZDXVWWHOFHW-UHFFFAOYSA-N
MW1592.62 g/mol
LogP9.30
Rot. Bonds10

About 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

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 (PubChem CID 157177677) has the molecular formula C80H89BrF2N20O9 and a molecular weight of 1592.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethanol;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
PubChem CID157177677
Molecular FormulaC80H89BrF2N20O9
Molecular Weight1592.62 g/mol
Exact Mass1590.63
IUPAC Nameethanol;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
SMILESC1CNCCN1.CC(=O)CC(=O)c1cn2cc(C)ccc2n1.CC(=O)c1cn2cc(C)ccc2n1.CCO.CCOC(=O)C(=O)CBr.Cc1ccc(N)nc1.Cc1ccc2nc(-c3cc(=O)n4cc(F)ccc4n3)cn2c1.Cc1ccc2nc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cn2c1.Nc1ccc(F)cn1
InChIInChI=1S/C20H20N6O.C16H11FN4O.C12H12N2O2.C10H10N2O.C6H8N2.C5H7BrO3.C5H5FN2.C4H10N2.C2H6O/c1-14-2-4-18-23-17(13-25(18)11-14)16-10-20(27)26-12-15(3-5-19(26)22-16)24-8-6-21-7-9-24;1-10-2-4-14-19-13(9-20(14)7-10)12-6-16(22)21-8-11(17)3-5-15(21)18-12;1-8-3-4-12-13-10(7-14(12)6-8)11(16)5-9(2)15;1-7-3-4-10-11-9(8(2)13)6-12(10)5-7;1-5-2-3-6(7)8-4-5;1-2-9-5(8)4(7)3-6;6-4-1-2-5(7)8-3-4;1-2-6-4-3-5-1;1-2-3/h2-5,10-13,21H,6-9H2,1H3;2-9H,1H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;2-4H,1H3,(H2,7,8);2-3H2,1H3;1-3H,(H2,7,8);5-6H,1-4H2;3H,2H2,1H3
InChIKeyAOEZDXVWWHOFHW-UHFFFAOYSA-N
XLogP9.30
TPSA369.90 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001592.62
LogP ≤ 59.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

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 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 with MolForge

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Related Compounds

ethyl 2-bromoacetate;ethyl 2-(3-methyl-2,6-dioxopurin-7-yl)acetate;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 157380999
ethyl 2-bromoacetate;ethyl 2-(3-methyl-2,6-dioxopurin-7-yl)acetate;methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 158576790
sodium;2-amino-1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyridine-2-carboxylate;N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide;imidazo[1,2-a]pyridine-2-carboxylic acid;pyridin-2-amine;hydroxide;hydrochloride
CID 161533573
Sodium;[3-(3-fluorophenyl)pyrrolidin-1-yl]-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;methane;methyl 3-bromo-2-oxopropanoate;methyl 8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;3-(trifluoromethyl)-1,2-dihydropyridin-2-amine;8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;hydroxide
CID 161894845
6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
CID 159170425
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
6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;methane;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
CID 167669962

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CNCCN1.CC(=O)CC(=O)c1cn2cc(C)ccc2n1.CC(=O)c1cn2cc(C)ccc2n1.CCO.CCOC(=O)C(=O)CBr.Cc1ccc(N)nc1.Cc1ccc2nc(-c3cc(=O)n4cc(F)ccc4n3)cn2c1.Cc1ccc2nc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cn2c1.Nc1ccc(F)cn1.
What is the InChIKey of 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?
The InChIKey is AOEZDXVWWHOFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.C16H11FN4O.C12H12N2O2.C10H10N2O.C6H8N2.C5H7BrO3.C5H5FN2.C4H10N2.C2H6O/c1-14-2-4-18-23-17(13-25(18)11-14)16-10-20(27)26-12-15(3-5-19(26)22-16)24-8-6-21-7-9-24;1-10-2-4-14-19-13(9-20(14)7-10)12-6-16(22)21-8-11(17)3-5-15(21)18-12;1-8-3-4-12-13-10(7-14(12)6-8)11(16)5-9(2)15;1-7-3-4-10-11-9(8(2)13)6-12(10)5-7;1-5-2-3-6(7)8-4-5;1-2-9-5(8)4(7)3-6;6-4-1-2-5(7)8-3-4;1-2-6-4-3-5-1;1-2-3/h2-5,10-13,21H,6-9H2,1H3;2-9H,1H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;2-4H,1H3,(H2,7,8);2-3H2,1H3;1-3H,(H2,7,8);5-6H,1-4H2;3H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1592.62 g/mol, XLogP of 9.30, 10 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157177677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).