1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide

C115H92F12N18O6 — CID 159070438

About 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide

1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 159070438) has the molecular formula C115H92F12N18O6 and a molecular weight of 2050.10 g/mol. Its IUPAC name is 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide.

Molecular Properties

• Compound Name: 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide
• PubChem CID: 159070438
• Molecular Formula: C115H92F12N18O6
• Molecular Weight: 2050.10 g/mol
• Exact Mass: 2048.73
• IUPAC Name: 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide
• SMILES: CC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Cc4cccc(C(F)(F)F)c4)ccc3C)cnc12.CC(C)N1CCN(Cc2ccc(CC(=O)c3cncc(C#Cc4cnc5cnccn45)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Cc2cc(-n3cnc(C#N)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Cc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12
• InChI: InChI=1S/C30H29F3N6O.C29H18F3N5O.C29H25F3N4O2.C27H20F3N3O2/c1-21(2)38-11-9-37(10-12-38)20-24-5-3-22(14-27(24)30(31,32)33)15-28(40)25-13-23(16-35-17-25)4-6-26-18-36-29-19-34-7-8-39(26)29;1-19-5-6-22(13-21(19)7-8-25-16-34-28-4-2-3-9-37(25)28)27(38)12-20-10-23(29(30,31)32)14-26(11-20)36-17-24(15-33)35-18-36;1-20-2-4-23(16-22(20)6-7-25-17-34-28-18-33-8-9-36(25)28)27(37)15-21-3-5-24(26(14-21)29(30,31)32)19-35-10-12-38-13-11-35;1-17-8-9-21(25(35)14-19-5-3-6-22(13-19)27(28,29)30)15-20(17)10-11-23-16-31-26-24(32-18(2)34)7-4-12-33(23)26/h3,5,7-8,13-14,16-19,21H,9-12,15,20H2,1-2H3;2-6,9-11,13-14,16-18H,12H2,1H3;2-5,8-9,14,16-18H,10-13,15,19H2,1H3;3-9,12-13,15-16H,14H2,1-2H3,(H,32,34)
• InChIKey: JZORHUWLNYGOCP-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 265.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.10
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

The IUPAC name of 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide (CID 159070438) is 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide.

What is the SMILES notation for 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

The canonical SMILES for 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide is CC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Cc4cccc(C(F)(F)F)c4)ccc3C)cnc12.CC(C)N1CCN(Cc2ccc(CC(=O)c3cncc(C#Cc4cnc5cnccn45)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Cc2cc(-n3cnc(C#N)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Cc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12.

What is the InChIKey of 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

The InChIKey is JZORHUWLNYGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O.C29H18F3N5O.C29H25F3N4O2.C27H20F3N3O2/c1-21(2)38-11-9-37(10-12-38)20-24-5-3-22(14-27(24)30(31,32)33)15-28(40)25-13-23(16-35-17-25)4-6-26-18-36-29-19-34-7-8-39(26)29;1-19-5-6-22(13-21(19)7-8-25-16-34-28-4-2-3-9-37(25)28)27(38)12-20-10-23(29(30,31)32)14-26(11-20)36-17-24(15-33)35-18-36;1-20-2-4-23(16-22(20)6-7-25-17-34-28-18-33-8-9-36(25)28)27(37)15-21-3-5-24(26(14-21)29(30,31)32)19-35-10-12-38-13-11-35;1-17-8-9-21(25(35)14-19-5-3-6-22(13-19)27(28,29)30)15-20(17)10-11-23-16-31-26-24(32-18(2)34)7-4-12-33(23)26/h3,5,7-8,13-14,16-19,21H,9-12,15,20H2,1-2H3;2-6,9-11,13-14,16-18H,12H2,1H3;2-5,8-9,14,16-18H,10-13,15,19H2,1H3;3-9,12-13,15-16H,14H2,1-2H3,(H,32,34).

What are the key properties of 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 2050.10 g/mol, XLogP of 20.20, 19 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[5-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-3-pyridinyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;N-[3-[2-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 159070438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).