2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine

C50H54Cl2N8O7 — CID 160640962

IUPAC2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine
SMILESCCOC(=O)C(Cl)C(C)=O.Cc1ccn2c(C(=O)CCc3ccccc3)c(C)nc2c1.Cc1ccn2c(C(=O)Cl)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.Cc1ccnc(N)c1
InChIInChI=1S/C18H18N2O.C10H9ClN2O.C10H10N2O2.C6H9ClO3.C6H8N2/c1-13-10-11-20-17(12-13)19-14(2)18(20)16(21)9-8-15-6-4-3-5-7-15;1-6-3-4-13-8(5-6)12-7(2)9(13)10(11)14;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;1-3-10-6(9)5(7)4(2)8;1-5-2-3-8-6(7)4-5/h3-7,10-12H,8-9H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,13,14);5H,3H2,1-2H3;2-4H,1H3,(H2,7,8)
InChIKeyRJDZBGVOWNMYJF-UHFFFAOYSA-N
MW949.94 g/mol
LogP9.46
Rot. Bonds9

About 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine

2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine (PubChem CID 160640962) has the molecular formula C50H54Cl2N8O7 and a molecular weight of 949.94 g/mol. Its IUPAC name is 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine.

Molecular Properties

Compound Name2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine
PubChem CID160640962
Molecular FormulaC50H54Cl2N8O7
Molecular Weight949.94 g/mol
Exact Mass948.35
IUPAC Name2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine
SMILESCCOC(=O)C(Cl)C(C)=O.Cc1ccn2c(C(=O)CCc3ccccc3)c(C)nc2c1.Cc1ccn2c(C(=O)Cl)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.Cc1ccnc(N)c1
InChIInChI=1S/C18H18N2O.C10H9ClN2O.C10H10N2O2.C6H9ClO3.C6H8N2/c1-13-10-11-20-17(12-13)19-14(2)18(20)16(21)9-8-15-6-4-3-5-7-15;1-6-3-4-13-8(5-6)12-7(2)9(13)10(11)14;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;1-3-10-6(9)5(7)4(2)8;1-5-2-3-8-6(7)4-5/h3-7,10-12H,8-9H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,13,14);5H,3H2,1-2H3;2-4H,1H3,(H2,7,8)
InChIKeyRJDZBGVOWNMYJF-UHFFFAOYSA-N
XLogP9.46
TPSA205.62 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.94
LogP ≤ 59.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine with MolForge

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Related Compounds

ethyl 2-chloro-3-oxobutanoate;ethyl 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;5-methylpyridin-2-amine;5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;3,4,6-trideuterio-5-methylpyridin-2-amine;[4-(trifluoromethyl)phenyl]methanamine
CID 157092700
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 2-chloro-3-oxobutanoate;ethyl 7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;5-methylpyridin-2-amine;[4-(trifluoromethyl)phenyl]methanamine
CID 161074710
Sodium;benzaldehyde;4-bromopyridin-2-amine;7-[hydroxy(phenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;methyl 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate;methyl 2-chloro-3-oxobutanoate;methyl 7-[hydroxy(phenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydroxide
CID 160089437
Lithium;ethyl 2-bromo-3-oxopentanoate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 3-oxopentanoate;methane;pyridin-2-amine;hydroxide
CID 160154907
Bis(2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid);1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine
CID 160196672
6-Bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-chloro-3-oxobutanoate;ethyl 3-oxobutanoate;2-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 160743097
CID 161530285
CID 161530285
8-Chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane
CID 167682392

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine?
The IUPAC name of 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine (CID 160640962) is 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine.
What is the SMILES notation for 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine?
The canonical SMILES for 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine is CCOC(=O)C(Cl)C(C)=O.Cc1ccn2c(C(=O)CCc3ccccc3)c(C)nc2c1.Cc1ccn2c(C(=O)Cl)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.Cc1ccnc(N)c1.
What is the InChIKey of 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine?
The InChIKey is RJDZBGVOWNMYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.C10H9ClN2O.C10H10N2O2.C6H9ClO3.C6H8N2/c1-13-10-11-20-17(12-13)19-14(2)18(20)16(21)9-8-15-6-4-3-5-7-15;1-6-3-4-13-8(5-6)12-7(2)9(13)10(11)14;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;1-3-10-6(9)5(7)4(2)8;1-5-2-3-8-6(7)4-5/h3-7,10-12H,8-9H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,13,14);5H,3H2,1-2H3;2-4H,1H3,(H2,7,8).
What are the key properties of 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine?
2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine has a molecular weight of 949.94 g/mol, XLogP of 9.46, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl chloride;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one;ethyl 2-chloro-3-oxobutanoate;4-methylpyridin-2-amine is sourced from PubChem (CID 160640962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).