6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

C62H68N10O9 — CID 161394883

IUPAC6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C)ccn12.NCc1ccc2c(c1)CCO2.[2H]c1cn2c(C(=O)NCc3ccc4c(c3)CCO4)c(C([2H])([2H])[2H])nc2c([2H])c1C.[2H]c1cn2c(C(=O)O)c(C([2H])([2H])[2H])nc2c([2H])c1C.[2H]c1cn2c(C(=O)OCC)c(C([2H])([2H])[2H])nc2c([2H])c1C
InChIInChI=1S/C19H19N3O2.2C12H14N2O2.C10H10N2O2.C9H11NO/c1-12-5-7-22-17(9-12)21-13(2)18(22)19(23)20-11-14-3-4-16-15(10-14)6-8-24-16;2*1-4-16-12(15)11-9(3)13-10-7-8(2)5-6-14(10)11;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;10-6-7-1-2-9-8(5-7)3-4-11-9/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23);2*5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2/i2D3,5D,9D;3D3,5D,7D;;2D3,3D,5D;
InChIKeyVTLVRSXKQKULLS-RQWAADNMSA-N
MW1112.38 g/mol
LogP9.80
Rot. Bonds12

About 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 161394883) has the molecular formula C62H68N10O9 and a molecular weight of 1112.38 g/mol. Its IUPAC name is 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID161394883
Molecular FormulaC62H68N10O9
Molecular Weight1112.38 g/mol
Exact Mass1111.61
IUPAC Name6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C)ccn12.NCc1ccc2c(c1)CCO2.[2H]c1cn2c(C(=O)NCc3ccc4c(c3)CCO4)c(C([2H])([2H])[2H])nc2c([2H])c1C.[2H]c1cn2c(C(=O)O)c(C([2H])([2H])[2H])nc2c([2H])c1C.[2H]c1cn2c(C(=O)OCC)c(C([2H])([2H])[2H])nc2c([2H])c1C
InChIInChI=1S/C19H19N3O2.2C12H14N2O2.C10H10N2O2.C9H11NO/c1-12-5-7-22-17(9-12)21-13(2)18(22)19(23)20-11-14-3-4-16-15(10-14)6-8-24-16;2*1-4-16-12(15)11-9(3)13-10-7-8(2)5-6-14(10)11;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;10-6-7-1-2-9-8(5-7)3-4-11-9/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23);2*5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2/i2D3,5D,9D;3D3,5D,7D;;2D3,3D,5D;
InChIKeyVTLVRSXKQKULLS-RQWAADNMSA-N
XLogP9.80
TPSA232.68 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001112.38
LogP ≤ 59.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

6-[2-(2-Ethoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-phenylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-propan-2-yloxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157933949
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158994627
5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158994629
N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-5-methylphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 159438273
5-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4,4-difluoropentan-1-one;tert-butyl 5-amino-4,4-difluoropentanoate;tert-butyl N-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2,2-difluoro-5-oxopentyl]carbamate;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 160408657
N-benzyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[[4-(dimethylamino)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-5-methylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 160444818
5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine
CID 162095198
8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine
CID 165050039
5-Tert-butyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-9-(2,2,2-trifluoroethyl)-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2,4,6,11(18),12,15-heptaen-10-one;8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;methane
CID 165109173
molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide
CID 167627921
5-[[7-[2-[5-[2-Carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
CID 171794258
Methyl 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-(2-methylpropyl)-3-(pyridine-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26143206

Frequently Asked Questions

What is the IUPAC name of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (CID 161394883) is 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2cc(C)ccn12.NCc1ccc2c(c1)CCO2.[2H]c1cn2c(C(=O)NCc3ccc4c(c3)CCO4)c(C([2H])([2H])[2H])nc2c([2H])c1C.[2H]c1cn2c(C(=O)O)c(C([2H])([2H])[2H])nc2c([2H])c1C.[2H]c1cn2c(C(=O)OCC)c(C([2H])([2H])[2H])nc2c([2H])c1C.
What is the InChIKey of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is VTLVRSXKQKULLS-RQWAADNMSA-N. The full InChI is InChI=1S/C19H19N3O2.2C12H14N2O2.C10H10N2O2.C9H11NO/c1-12-5-7-22-17(9-12)21-13(2)18(22)19(23)20-11-14-3-4-16-15(10-14)6-8-24-16;2*1-4-16-12(15)11-9(3)13-10-7-8(2)5-6-14(10)11;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;10-6-7-1-2-9-8(5-7)3-4-11-9/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23);2*5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2/i2D3,5D,9D;3D3,5D,7D;;2D3,3D,5D;.
What are the key properties of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 1112.38 g/mol, XLogP of 9.80, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 6,8-dideuterio-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 161394883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).