3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone

C113H93F12N17O5 — CID 159324572

About 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone

3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 159324572) has the molecular formula C113H93F12N17O5 and a molecular weight of 1997.08 g/mol. Its IUPAC name is 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 159324572
• Molecular Formula: C113H93F12N17O5
• Molecular Weight: 1997.08 g/mol
• Exact Mass: 1995.74
• IUPAC Name: 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
• SMILES: Cc1ccc(C(=O)Cc2cc(-n3ccnc3CN(C)C)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12.Cc1ccc(C(=O)Cc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Cc2ccc(CN3CCCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1C#Cc1cnc2c(N)cccn12
• InChI: InChI=1S/C30H25F3N6O.C30H26F3N3O2.C30H26F3N3O.C23H16F3N5O/c1-20-4-5-23(15-22(20)6-7-25-17-36-28-18-34-8-10-38(25)28)27(40)14-21-12-24(30(31,32)33)16-26(13-21)39-11-9-35-29(39)19-37(2)3;1-21-5-6-25(18-24(21)7-8-27-19-34-29-4-2-3-9-36(27)29)28(37)17-22-14-23(16-26(15-22)30(31,32)33)20-35-10-12-38-13-11-35;1-21-7-9-24(18-23(21)11-12-26-19-34-29-6-2-3-15-36(26)29)28(37)17-22-8-10-25(20-35-13-4-5-14-35)27(16-22)30(31,32)33;1-14-4-5-16(22(32)30-20-12-17(8-9-28-20)23(24,25)26)11-15(14)6-7-18-13-29-21-19(27)3-2-10-31(18)21/h4-5,8-13,15-18H,14,19H2,1-3H3;2-6,9,14-16,18-19H,10-13,17,20H2,1H3;2-3,6-10,15-16,18-19H,4-5,13-14,17,20H2,1H3;2-5,8-13H,27H2,1H3,(H,28,30,32)
• InChIKey: LEERCTJIYVUYRN-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 238.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.08
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone (CID 159324572) is 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2cc(-n3ccnc3CN(C)C)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12.Cc1ccc(C(=O)Cc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Cc2ccc(CN3CCCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1C#Cc1cnc2c(N)cccn12.

What is the InChIKey of 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone?

The InChIKey is LEERCTJIYVUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O.C30H26F3N3O2.C30H26F3N3O.C23H16F3N5O/c1-20-4-5-23(15-22(20)6-7-25-17-36-28-18-34-8-10-38(25)28)27(40)14-21-12-24(30(31,32)33)16-26(13-21)39-11-9-35-29(39)19-37(2)3;1-21-5-6-25(18-24(21)7-8-27-19-34-29-4-2-3-9-36(27)29)28(37)17-22-14-23(16-26(15-22)30(31,32)33)20-35-10-12-38-13-11-35;1-21-7-9-24(18-23(21)11-12-26-19-34-29-6-2-3-15-36(26)29)28(37)17-22-8-10-25(20-35-13-4-5-14-35)27(16-22)30(31,32)33;1-14-4-5-16(22(32)30-20-12-17(8-9-28-20)23(24,25)26)11-15(14)6-7-18-13-29-21-19(27)3-2-10-31(18)21/h4-5,8-13,15-18H,14,19H2,1-3H3;2-6,9,14-16,18-19H,10-13,17,20H2,1H3;2-3,6-10,15-16,18-19H,4-5,13-14,17,20H2,1H3;2-5,8-13H,27H2,1H3,(H,28,30,32).

What are the key properties of 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone?

3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1997.08 g/mol, XLogP of 20.82, 18 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159324572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).