1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide

C92H73ClF30N14O14 — CID 158170818

About 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide

1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 158170818) has the molecular formula C92H73ClF30N14O14 and a molecular weight of 2204.07 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 158170818
• Molecular Formula: C92H73ClF30N14O14
• Molecular Weight: 2204.07 g/mol
• Exact Mass: 2202.46
• IUPAC Name: 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide
• SMILES: COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2ccnc12.COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1N.Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)c4nccn34)=NO2)c1.Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)c4nccn34)=NO2)c1.NCC(=O)CCC(F)(F)F.O=CCCl
• InChI: InChI=1S/C25H19F9N4O3.C21H15F6N3O3.C20H13F6N3O3.C19H15F6N3O3.C5H8F3NO.C2H3ClO/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)19-3-2-17(20-35-6-7-38(19)20)21(40)36-12-16(39)4-5-23(26,27)28;1-11-7-12(9-13(8-11)20(22,23)24)19(21(25,26)27)10-15(29-33-19)16-4-3-14(18(31)32-2)17-28-5-6-30(16)17;1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)15-3-2-13(17(30)31)16-27-4-5-29(15)16;1-9-5-10(7-11(6-9)18(20,21)22)17(19(23,24)25)8-14(28-31-17)13-4-3-12(15(26)27-13)16(29)30-2;6-5(7,8)2-1-4(10)3-9;3-1-2-4/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,30,31);3-7H,8H2,1-2H3,(H2,26,27);1-3,9H2;2H,1H2
• InChIKey: FXKSASANMCJXJV-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 373.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2204.07
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 158170818) is 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide is COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2ccnc12.COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1N.Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)c4nccn34)=NO2)c1.Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)c4nccn34)=NO2)c1.NCC(=O)CCC(F)(F)F.O=CCCl.

What is the InChIKey of 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is FXKSASANMCJXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F9N4O3.C21H15F6N3O3.C20H13F6N3O3.C19H15F6N3O3.C5H8F3NO.C2H3ClO/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)19-3-2-17(20-35-6-7-38(19)20)21(40)36-12-16(39)4-5-23(26,27)28;1-11-7-12(9-13(8-11)20(22,23)24)19(21(25,26)27)10-15(29-33-19)16-4-3-14(18(31)32-2)17-28-5-6-30(16)17;1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)15-3-2-13(17(30)31)16-27-4-5-29(15)16;1-9-5-10(7-11(6-9)18(20,21)22)17(19(23,24)25)8-14(28-31-17)13-4-3-12(15(26)27-13)16(29)30-2;6-5(7,8)2-1-4(10)3-9;3-1-2-4/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,30,31);3-7H,8H2,1-2H3,(H2,26,27);1-3,9H2;2H,1H2.

What are the key properties of 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide?

1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 2204.07 g/mol, XLogP of 21.50, 20 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-5,5,5-trifluoropentan-2-one;2-chloroacetaldehyde;methyl 2-amino-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 158170818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).