1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea

C89H74F10N14O4 — CID 160941194

About 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea

1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea (PubChem CID 160941194) has the molecular formula C89H74F10N14O4 and a molecular weight of 1593.64 g/mol. Its IUPAC name is 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea.

Molecular Properties

• Compound Name: 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea
• PubChem CID: 160941194
• Molecular Formula: C89H74F10N14O4
• Molecular Weight: 1593.64 g/mol
• Exact Mass: 1592.59
• IUPAC Name: 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea
• SMILES: CN1CCN(Cc2ccc(CC(=O)c3ccc(F)c(C#Cc4cnc5ccccn45)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(CC(=O)c3cccc(C#Cc4cnc5ccccn45)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Cc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2c(NC(N)=O)cccn12
• InChI: InChI=1S/C30H26F4N4O.C30H27F3N4O.C29H21F3N6O2/c1-36-12-14-37(15-13-36)20-24-6-5-21(16-26(24)30(32,33)34)17-28(39)23-8-10-27(31)22(18-23)7-9-25-19-35-29-4-2-3-11-38(25)29;1-35-13-15-36(16-14-35)21-25-10-8-23(18-27(25)30(31,32)33)19-28(38)24-6-4-5-22(17-24)9-11-26-20-34-29-7-2-3-12-37(26)29;1-18-4-5-21(14-20(18)6-7-23-16-35-27-25(36-28(33)40)3-2-9-38(23)27)26(39)13-19-11-22(29(30,31)32)15-24(12-19)37-10-8-34-17-37/h2-6,8,10-11,16,18-19H,12-15,17,20H2,1H3;2-8,10,12,17-18,20H,13-16,19,21H2,1H3;2-5,8-12,14-17H,13H2,1H3,(H3,33,36,40)
• InChIKey: SUNKDXMFNORTFF-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 189.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.64
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea?

The IUPAC name of 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea (CID 160941194) is 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea.

What is the SMILES notation for 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea?

The canonical SMILES for 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea is CN1CCN(Cc2ccc(CC(=O)c3ccc(F)c(C#Cc4cnc5ccccn45)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(CC(=O)c3cccc(C#Cc4cnc5ccccn45)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Cc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2c(NC(N)=O)cccn12.

What is the InChIKey of 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea?

The InChIKey is SUNKDXMFNORTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N4O.C30H27F3N4O.C29H21F3N6O2/c1-36-12-14-37(15-13-36)20-24-6-5-21(16-26(24)30(32,33)34)17-28(39)23-8-10-27(31)22(18-23)7-9-25-19-35-29-4-2-3-11-38(25)29;1-35-13-15-36(16-14-35)21-25-10-8-23(18-27(25)30(31,32)33)19-28(38)24-6-4-5-22(17-24)9-11-26-20-34-29-7-2-3-12-37(26)29;1-18-4-5-21(14-20(18)6-7-23-16-35-27-25(36-28(33)40)3-2-9-38(23)27)26(39)13-19-11-22(29(30,31)32)15-24(12-19)37-10-8-34-17-37/h2-6,8,10-11,16,18-19H,12-15,17,20H2,1H3;2-8,10,12,17-18,20H,13-16,19,21H2,1H3;2-5,8-12,14-17H,13H2,1H3,(H3,33,36,40).

What are the key properties of 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea?

1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea has a molecular weight of 1593.64 g/mol, XLogP of 15.15, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;[3-[2-[5-[2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]urea is sourced from PubChem (CID 160941194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).