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

C66H73ClF6N12O8 — CID 157092700

About 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

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 (PubChem CID 157092700) has the molecular formula C66H73ClF6N12O8 and a molecular weight of 1323.90 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157092700
• Molecular Formula: C66H73ClF6N12O8
• Molecular Weight: 1323.90 g/mol
• Exact Mass: 1322.60
• IUPAC Name: 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
• SMILES: CCOC(=O)C(Cl)C(C)=O.Cc1ccc(N)nc1.NCc1ccc(C(F)(F)F)cc1.[2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H].[2H]c1c(C)c([2H])n2c(C(=O)O)c(C)nc2c1[2H].[2H]c1c(C)c([2H])n2c(C(=O)OCC)c(C)nc2c1[2H].[2H]c1nc(N)c([2H])c([2H])c1C
• InChI: InChI=1S/C18H16F3N3O.C12H14N2O2.C10H10N2O2.C8H8F3N.C6H9ClO3.2C6H8N2/c1-11-3-8-15-23-12(2)16(24(15)10-11)17(25)22-9-13-4-6-14(7-5-13)18(19,20)21;1-4-16-12(15)11-9(3)13-10-6-5-8(2)7-14(10)11;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;9-8(10,11)7-3-1-6(5-12)2-4-7;1-3-10-6(9)5(7)4(2)8;2*1-5-2-3-6(7)8-4-5/h3-8,10H,9H2,1-2H3,(H,22,25);5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;5H,3H2,1-2H3;2*2-4H,1H3,(H2,7,8)/i3D,8D,10D;5D,6D,7D;3D,4D,5D;;;2D,3D,4D
• InChIKey: AEVRGHULTPHVRC-SBBNQANSSA-N
• XLogP: 12.53
• TPSA: 291.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.90
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)C(Cl)C(C)=O.Cc1ccc(N)nc1.NCc1ccc(C(F)(F)F)cc1.[2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H].[2H]c1c(C)c([2H])n2c(C(=O)O)c(C)nc2c1[2H].[2H]c1c(C)c([2H])n2c(C(=O)OCC)c(C)nc2c1[2H].[2H]c1nc(N)c([2H])c([2H])c1C.

What is the InChIKey of 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?

The InChIKey is AEVRGHULTPHVRC-SBBNQANSSA-N. The full InChI is InChI=1S/C18H16F3N3O.C12H14N2O2.C10H10N2O2.C8H8F3N.C6H9ClO3.2C6H8N2/c1-11-3-8-15-23-12(2)16(24(15)10-11)17(25)22-9-13-4-6-14(7-5-13)18(19,20)21;1-4-16-12(15)11-9(3)13-10-6-5-8(2)7-14(10)11;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;9-8(10,11)7-3-1-6(5-12)2-4-7;1-3-10-6(9)5(7)4(2)8;2*1-5-2-3-6(7)8-4-5/h3-8,10H,9H2,1-2H3,(H,22,25);5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;5H,3H2,1-2H3;2*2-4H,1H3,(H2,7,8)/i3D,8D,10D;5D,6D,7D;3D,4D,5D;;;2D,3D,4D;.

What are the key properties of 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?

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 has a molecular weight of 1323.90 g/mol, XLogP of 12.53, 10 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157092700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).