ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid

C109H104BBrN18O18 — CID 158899516

IUPACethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid
SMILESC=CC(=O)c1ncccc1C.CCOC(=O)C(CCC(=O)c1ncccc1C)C(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)CC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1Br.CCOC(C)=O.Cc1cccnc1C(=O)CCCC(=O)c1nc2ccccn2c1-c1ccncc1.OB(O)c1ccncc1
InChIInChI=1S/C26H24N4O4.C23H20N4O2.C17H15N3O3.C15H13N3O2.C10H9BrN2O2.C9H9NO.C5H6BNO2.C4H8O2/c1-3-34-26(33)19(9-10-20(31)22-17(2)7-6-13-28-22)25(32)23-24(18-11-14-27-15-12-18)30-16-5-4-8-21(30)29-23;1-16-6-5-12-25-21(16)18(28)7-4-8-19(29)22-23(17-10-13-24-14-11-17)27-15-3-2-9-20(27)26-22;1-2-23-15(22)11-13(21)16-17(12-6-8-18-9-7-12)20-10-4-3-5-14(20)19-16;1-2-20-15(19)13-14(11-6-8-16-9-7-11)18-10-4-3-5-12(18)17-13;1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8;1-3-8(11)9-7(2)5-4-6-10-9;8-6(9)5-1-3-7-4-2-5;1-3-6-4(2)5/h4-8,11-16,19H,3,9-10H2,1-2H3;2-3,5-6,9-15H,4,7-8H2,1H3;3-10H,2,11H2,1H3;3-10H,2H2,1H3;3-6H,2H2,1H3;3-6H,1H2,2H3;1-4,8-9H;3H2,1-2H3
InChIKeyJFGHVRIRIUGTIG-UHFFFAOYSA-N
MW2044.85 g/mol
LogP16.93
Rot. Bonds30

About ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid

ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid (PubChem CID 158899516) has the molecular formula C109H104BBrN18O18 and a molecular weight of 2044.85 g/mol. Its IUPAC name is ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid.

Molecular Properties

Compound Nameethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid
PubChem CID158899516
Molecular FormulaC109H104BBrN18O18
Molecular Weight2044.85 g/mol
Exact Mass2042.71
IUPAC Nameethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid
SMILESC=CC(=O)c1ncccc1C.CCOC(=O)C(CCC(=O)c1ncccc1C)C(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)CC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1Br.CCOC(C)=O.Cc1cccnc1C(=O)CCCC(=O)c1nc2ccccn2c1-c1ccncc1.OB(O)c1ccncc1
InChIInChI=1S/C26H24N4O4.C23H20N4O2.C17H15N3O3.C15H13N3O2.C10H9BrN2O2.C9H9NO.C5H6BNO2.C4H8O2/c1-3-34-26(33)19(9-10-20(31)22-17(2)7-6-13-28-22)25(32)23-24(18-11-14-27-15-12-18)30-16-5-4-8-21(30)29-23;1-16-6-5-12-25-21(16)18(28)7-4-8-19(29)22-23(17-10-13-24-14-11-17)27-15-3-2-9-20(27)26-22;1-2-23-15(22)11-13(21)16-17(12-6-8-18-9-7-12)20-10-4-3-5-14(20)19-16;1-2-20-15(19)13-14(11-6-8-16-9-7-11)18-10-4-3-5-12(18)17-13;1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8;1-3-8(11)9-7(2)5-4-6-10-9;8-6(9)5-1-3-7-4-2-5;1-3-6-4(2)5/h4-8,11-16,19H,3,9-10H2,1-2H3;2-3,5-6,9-15H,4,7-8H2,1H3;3-10H,2,11H2,1H3;3-10H,2H2,1H3;3-6H,2H2,1H3;3-6H,1H2,2H3;1-4,8-9H;3H2,1-2H3
InChIKeyJFGHVRIRIUGTIG-UHFFFAOYSA-N
XLogP16.93
TPSA464.00 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002044.85
LogP ≤ 516.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-[3-(2-pyridin-2-ylethyl)pyridine-2-carbonyl]pentanoate
CID 155453220
ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
CID 90411244
diethyl 2-pyridin-4-ylimidazo[1,2-a]pyridine-3,8-dicarboxylate;ethyl 2-bromo-3-oxo-3-pyridin-2-ylpropanoate;ethyl 3-oxo-3-pyridin-4-ylpropanoate
CID 159514206
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
CID 75531045
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate
CID 141444753
N-[(1R)-1-phenylethyl]-3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 95101848
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?
The IUPAC name of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid (CID 158899516) is ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid.
What is the SMILES notation for ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?
The canonical SMILES for ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid is C=CC(=O)c1ncccc1C.CCOC(=O)C(CCC(=O)c1ncccc1C)C(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)CC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1Br.CCOC(C)=O.Cc1cccnc1C(=O)CCCC(=O)c1nc2ccccn2c1-c1ccncc1.OB(O)c1ccncc1.
What is the InChIKey of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?
The InChIKey is JFGHVRIRIUGTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4.C23H20N4O2.C17H15N3O3.C15H13N3O2.C10H9BrN2O2.C9H9NO.C5H6BNO2.C4H8O2/c1-3-34-26(33)19(9-10-20(31)22-17(2)7-6-13-28-22)25(32)23-24(18-11-14-27-15-12-18)30-16-5-4-8-21(30)29-23;1-16-6-5-12-25-21(16)18(28)7-4-8-19(29)22-23(17-10-13-24-14-11-17)27-15-3-2-9-20(27)26-22;1-2-23-15(22)11-13(21)16-17(12-6-8-18-9-7-12)20-10-4-3-5-14(20)19-16;1-2-20-15(19)13-14(11-6-8-16-9-7-11)18-10-4-3-5-12(18)17-13;1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8;1-3-8(11)9-7(2)5-4-6-10-9;8-6(9)5-1-3-7-4-2-5;1-3-6-4(2)5/h4-8,11-16,19H,3,9-10H2,1-2H3;2-3,5-6,9-15H,4,7-8H2,1H3;3-10H,2,11H2,1H3;3-10H,2H2,1H3;3-6H,2H2,1H3;3-6H,1H2,2H3;1-4,8-9H;3H2,1-2H3.
What are the key properties of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?
ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid has a molecular weight of 2044.85 g/mol, XLogP of 16.93, 30 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid is sourced from PubChem (CID 158899516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).