2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide

C106H90F3N13O5 — CID 157123825

About 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide

2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 157123825) has the molecular formula C106H90F3N13O5 and a molecular weight of 1682.97 g/mol. Its IUPAC name is 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide
• PubChem CID: 157123825
• Molecular Formula: C106H90F3N13O5
• Molecular Weight: 1682.97 g/mol
• Exact Mass: 1681.71
• IUPAC Name: 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide
• SMILES: CCN(CC)CCCOc1ccc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)cc1C.Cc1ccc(C(=O)Cc2ccc(C#N)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccnc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)c1.Cc1ccnc(NC(=O)c2ccc(C)c(C#Cc3cnc4c(C)cccn34)c2)c1
• InChI: InChI=1S/C32H35N3O2.C26H16F3N3O.C24H20N4O.C24H19N3O/c1-5-34(6-2)17-9-19-37-31-16-12-26(20-25(31)4)21-30(36)28-13-11-24(3)27(22-28)14-15-29-23-33-32-10-7-8-18-35(29)32;1-17-5-7-20(14-19(17)9-10-22-16-31-25-4-2-3-11-32(22)25)24(33)13-18-6-8-21(15-30)23(12-18)26(27,28)29;1-16-10-11-25-22(13-16)27-24(29)20-7-6-17(2)19(14-20)8-9-21-15-26-23-18(3)5-4-12-28(21)23;1-17-10-11-25-21(13-17)15-23(28)20-7-6-18(2)19(14-20)8-9-22-16-26-24-5-3-4-12-27(22)24/h7-8,10-13,16,18,20,22-23H,5-6,9,17,19,21H2,1-4H3;2-8,11-12,14,16H,13H2,1H3;4-7,10-15H,1-3H3,(H,25,27,29);3-7,10-14,16H,15H2,1-2H3
• InChIKey: AIHCCXYOXMBPRJ-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 211.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1682.97
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide?

The IUPAC name of 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide (CID 157123825) is 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide.

What is the SMILES notation for 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide?

The canonical SMILES for 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide is CCN(CC)CCCOc1ccc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)cc1C.Cc1ccc(C(=O)Cc2ccc(C#N)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccnc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)c1.Cc1ccnc(NC(=O)c2ccc(C)c(C#Cc3cnc4c(C)cccn34)c2)c1.

What is the InChIKey of 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide?

The InChIKey is AIHCCXYOXMBPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O2.C26H16F3N3O.C24H20N4O.C24H19N3O/c1-5-34(6-2)17-9-19-37-31-16-12-26(20-25(31)4)21-30(36)28-13-11-24(3)27(22-28)14-15-29-23-33-32-10-7-8-18-35(29)32;1-17-5-7-20(14-19(17)9-10-22-16-31-25-4-2-3-11-32(22)25)24(33)13-18-6-8-21(15-30)23(12-18)26(27,28)29;1-16-10-11-25-22(13-16)27-24(29)20-7-6-17(2)19(14-20)8-9-21-15-26-23-18(3)5-4-12-28(21)23;1-17-10-11-25-21(13-17)15-23(28)20-7-6-18(2)19(14-20)8-9-22-16-26-24-5-3-4-12-27(22)24/h7-8,10-13,16,18,20,22-23H,5-6,9,17,19,21H2,1-4H3;2-8,11-12,14,16H,13H2,1H3;4-7,10-15H,1-3H3,(H,25,27,29);3-7,10-14,16H,15H2,1-2H3.

What are the key properties of 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide?

2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 1682.97 g/mol, XLogP of 19.72, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 157123825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).