3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone

C88H92BrF9IN11O3Si — CID 163905617

About 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone

3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 163905617) has the molecular formula C88H92BrF9IN11O3Si and a molecular weight of 1757.65 g/mol. Its IUPAC name is 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 163905617
• Molecular Formula: C88H92BrF9IN11O3Si
• Molecular Weight: 1757.65 g/mol
• Exact Mass: 1755.52
• IUPAC Name: 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone
• SMILES: Brc1ncc2ccccn12.C#C[Si](C)(C)C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2C(F)(F)F)cc1I
• InChI: InChI=1S/C30H28F3N5O.C24H25F3N2O.C22H24F3IN2O.C7H5BrN2.C5H10Si/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-4-19-15-20(7-5-17(19)2)23(30)14-18-6-8-21(22(13-18)24(25,26)27)16-29-11-9-28(3)10-12-29;1-15-3-5-18(12-20(15)26)21(29)13-17-6-4-16(11-19(17)22(23,24)25)14-28-9-7-27(2)8-10-28;8-7-9-5-6-3-1-2-4-10(6)7;1-5-6(2,3)4/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;1,5-8,13,15H,9-12,14,16H2,2-3H3;3-6,11-12H,7-10,13-14H2,1-2H3;1-5H;1H,2-4H3
• InChIKey: QNQGQSJDVQGUOX-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 118.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.65
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone (CID 163905617) is 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone is Brc1ncc2ccccn12.C#C[Si](C)(C)C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)cc2C(F)(F)F)cc1I.

What is the InChIKey of 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone?

The InChIKey is QNQGQSJDVQGUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O.C24H25F3N2O.C22H24F3IN2O.C7H5BrN2.C5H10Si/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-4-19-15-20(7-5-17(19)2)23(30)14-18-6-8-21(22(13-18)24(25,26)27)16-29-11-9-28(3)10-12-29;1-15-3-5-18(12-20(15)26)21(29)13-17-6-4-16(11-19(17)22(23,24)25)14-28-9-7-27(2)8-10-28;8-7-9-5-6-3-1-2-4-10(6)7;1-5-6(2,3)4/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;1,5-8,13,15H,9-12,14,16H2,2-3H3;3-6,11-12H,7-10,13-14H2,1-2H3;1-5H;1H,2-4H3.

What are the key properties of 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone?

3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1757.65 g/mol, XLogP of 17.18, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromoimidazo[1,5-a]pyridine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;ethynyl(trimethyl)silane;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-iodo-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 163905617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).