N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone

C88H67F9N18O5 — CID 158711645

About N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone

N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 158711645) has the molecular formula C88H67F9N18O5 and a molecular weight of 1627.61 g/mol. Its IUPAC name is N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 158711645
• Molecular Formula: C88H67F9N18O5
• Molecular Weight: 1627.61 g/mol
• Exact Mass: 1626.54
• IUPAC Name: N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone
• SMILES: CC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Cc4cc(-n5ccnc5CN(C)C)cc(C(F)(F)F)c4)ccc3C)cnc12.CNC(=O)c1cn(-c2cc(C(=O)Nc3ccc(C)c(C#Cc4cnc5cnccn45)c3)cc(C(F)(F)F)c2)cn1.Cc1ccc(C(=O)Cc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12
• InChI: InChI=1S/C33H29F3N6O2.C28H20F3N7O2.C27H18F3N5O/c1-21-7-8-25(17-24(21)9-10-27-19-38-32-29(39-22(2)43)6-5-12-42(27)32)30(44)16-23-14-26(33(34,35)36)18-28(15-23)41-13-11-37-31(41)20-40(3)4;1-17-3-5-21(10-18(17)4-6-22-13-34-25-14-33-7-8-38(22)25)36-26(39)19-9-20(28(29,30)31)12-23(11-19)37-15-24(35-16-37)27(40)32-2;1-18-4-5-21(14-20(18)6-7-23-16-32-26-3-2-8-33-35(23)26)25(36)13-19-11-22(27(28,29)30)15-24(12-19)34-10-9-31-17-34/h5-8,11-15,17-19H,16,20H2,1-4H3,(H,39,43);3,5,7-16H,1-2H3,(H,32,40)(H,36,39);2-5,8-12,14-17H,13H2,1H3
• InChIKey: IIUMBKTYOOEEEC-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 255.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.61
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone (CID 158711645) is N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone is CC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Cc4cc(-n5ccnc5CN(C)C)cc(C(F)(F)F)c4)ccc3C)cnc12.CNC(=O)c1cn(-c2cc(C(=O)Nc3ccc(C)c(C#Cc4cnc5cnccn45)c3)cc(C(F)(F)F)c2)cn1.Cc1ccc(C(=O)Cc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.

What is the InChIKey of N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone?

The InChIKey is IIUMBKTYOOEEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F3N6O2.C28H20F3N7O2.C27H18F3N5O/c1-21-7-8-25(17-24(21)9-10-27-19-38-32-29(39-22(2)43)6-5-12-42(27)32)30(44)16-23-14-26(33(34,35)36)18-28(15-23)41-13-11-37-31(41)20-40(3)4;1-17-3-5-21(10-18(17)4-6-22-13-34-25-14-33-7-8-38(22)25)36-26(39)19-9-20(28(29,30)31)12-23(11-19)37-15-24(35-16-37)27(40)32-2;1-18-4-5-21(14-20(18)6-7-23-16-32-26-3-2-8-33-35(23)26)25(36)13-19-11-22(27(28,29)30)15-24(12-19)34-10-9-31-17-34/h5-8,11-15,17-19H,16,20H2,1-4H3,(H,39,43);3,5,7-16H,1-2H3,(H,32,40)(H,36,39);2-5,8-12,14-17H,13H2,1H3.

What are the key properties of N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone?

N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1627.61 g/mol, XLogP of 15.01, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[5-[2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide;1-[3-[[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 158711645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).