2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine

C68H79ClN12O10 — CID 158827777

About 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine

2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine (PubChem CID 158827777) has the molecular formula C68H79ClN12O10 and a molecular weight of 1275.00 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine
• PubChem CID: 158827777
• Molecular Formula: C68H79ClN12O10
• Molecular Weight: 1275.00 g/mol
• Exact Mass: 1273.67
• IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine
• SMILES: CCOC(=O)C(Cl)C(C)=O.Cc1ccnc(N)c1.NCc1ccc2c(c1)CCO2.[2H]c1c(C)c([2H])c2nc(C)c(C(=O)NCc3ccc4c(c3)CCO4)n2c1[2H].[2H]c1c(C)c([2H])c2nc(C)c(C(=O)O)n2c1[2H].[2H]c1c(C)c([2H])c2nc(C)c(C(=O)OCC)n2c1[2H].[2H]c1nc(N)c([2H])c(C([2H])([2H])[2H])c1[2H]
• InChI: InChI=1S/C19H19N3O2.C12H14N2O2.C10H10N2O2.C9H11NO.C6H9ClO3.2C6H8N2/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;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;1-3-10-6(9)5(7)4(2)8;2*1-5-2-3-8-6(7)4-5/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23);5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2;5H,3H2,1-2H3;2*2-4H,1H3,(H2,7,8)/i5D,7D,9D;5D,6D,7D;3D,4D,5D;;;1D3,2D,3D,4D
• InChIKey: IWQUFIQWRWGEFW-MBXNJIKQSA-N
• XLogP: 10.36
• TPSA: 310.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.00
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine?

The IUPAC name of 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine (CID 158827777) is 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine.

What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine?

The canonical SMILES for 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine is CCOC(=O)C(Cl)C(C)=O.Cc1ccnc(N)c1.NCc1ccc2c(c1)CCO2.[2H]c1c(C)c([2H])c2nc(C)c(C(=O)NCc3ccc4c(c3)CCO4)n2c1[2H].[2H]c1c(C)c([2H])c2nc(C)c(C(=O)O)n2c1[2H].[2H]c1c(C)c([2H])c2nc(C)c(C(=O)OCC)n2c1[2H].[2H]c1nc(N)c([2H])c(C([2H])([2H])[2H])c1[2H].

What is the InChIKey of 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine?

The InChIKey is IWQUFIQWRWGEFW-MBXNJIKQSA-N. The full InChI is InChI=1S/C19H19N3O2.C12H14N2O2.C10H10N2O2.C9H11NO.C6H9ClO3.2C6H8N2/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;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;1-3-10-6(9)5(7)4(2)8;2*1-5-2-3-8-6(7)4-5/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23);5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2;5H,3H2,1-2H3;2*2-4H,1H3,(H2,7,8)/i5D,7D,9D;5D,6D,7D;3D,4D,5D;;;1D3,2D,3D,4D;.

What are the key properties of 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine?

2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine has a molecular weight of 1275.00 g/mol, XLogP of 10.36, 11 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1-benzofuran-5-ylmethanamine;ethyl 2-chloro-3-oxobutanoate;ethyl 5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate;4-methylpyridin-2-amine;5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5,6,8-trideuterio-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine is sourced from PubChem (CID 158827777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).