2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate

C73H66Cl3F9N12O10 — CID 158205819

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate

2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 158205819) has the molecular formula C73H66Cl3F9N12O10 and a molecular weight of 1548.75 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

• Compound Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
• PubChem CID: 158205819
• Molecular Formula: C73H66Cl3F9N12O10
• Molecular Weight: 1548.75 g/mol
• Exact Mass: 1546.39
• IUPAC Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
• SMILES: CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)CCC(=O)NCC(F)(F)F)c3cncn23)=NO1.COC(=O)c1ccc(/C=C/C2=NOC(C)(c3cc(C)cc(Cl)c3)C2)n2cncc12.Cc1cc(Cl)cc(C2(C)CC(/C=C/c3ccc(C(=O)O)c4cncn34)=NO2)c1.NCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C26H21ClF6N4O3.C22H20ClN3O3.C21H18ClN3O3.C4H7F3N2O/c1-24(15-8-16(26(31,32)33)10-17(27)9-15)11-18(36-40-24)2-3-19-4-5-20(21-12-34-14-37(19)21)22(38)6-7-23(39)35-13-25(28,29)30;1-14-8-15(10-16(23)9-14)22(2)11-17(25-29-22)4-5-18-6-7-19(21(27)28-3)20-12-24-13-26(18)20;1-13-7-14(9-15(22)8-13)21(2)10-16(24-28-21)3-4-17-5-6-18(20(26)27)19-11-23-12-25(17)19;5-4(6,7)2-9-3(10)1-8/h2-5,8-10,12,14H,6-7,11,13H2,1H3,(H,35,39);4-10,12-13H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3,(H,26,27);1-2,8H2,(H,9,10)/b3-2+;5-4+;4-3+
• InChIKey: GBMGGWYCHPSHMJ-JMPSNBRBSA-N
• XLogP: 15.46
• TPSA: 281.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.75
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate (CID 158205819) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.

What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate is CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC(/C=C/c2ccc(C(=O)CCC(=O)NCC(F)(F)F)c3cncn23)=NO1.COC(=O)c1ccc(/C=C/C2=NOC(C)(c3cc(C)cc(Cl)c3)C2)n2cncc12.Cc1cc(Cl)cc(C2(C)CC(/C=C/c3ccc(C(=O)O)c4cncn34)=NO2)c1.NCC(=O)NCC(F)(F)F.

What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

The InChIKey is GBMGGWYCHPSHMJ-JMPSNBRBSA-N. The full InChI is InChI=1S/C26H21ClF6N4O3.C22H20ClN3O3.C21H18ClN3O3.C4H7F3N2O/c1-24(15-8-16(26(31,32)33)10-17(27)9-15)11-18(36-40-24)2-3-19-4-5-20(21-12-34-14-37(19)21)22(38)6-7-23(39)35-13-25(28,29)30;1-14-8-15(10-16(23)9-14)22(2)11-17(25-29-22)4-5-18-6-7-19(21(27)28-3)20-12-24-13-26(18)20;1-13-7-14(9-15(22)8-13)21(2)10-16(24-28-21)3-4-17-5-6-18(20(26)27)19-11-23-12-25(17)19;5-4(6,7)2-9-3(10)1-8/h2-5,8-10,12,14H,6-7,11,13H2,1H3,(H,35,39);4-10,12-13H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3,(H,26,27);1-2,8H2,(H,9,10)/b3-2+;5-4+;4-3+;.

What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 1548.75 g/mol, XLogP of 15.46, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 158205819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).