1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C101H75F9N18O6S — CID 159758650

About 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 159758650) has the molecular formula C101H75F9N18O6S and a molecular weight of 1839.88 g/mol. Its IUPAC name is 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 159758650
• Molecular Formula: C101H75F9N18O6S
• Molecular Weight: 1839.88 g/mol
• Exact Mass: 1838.57
• IUPAC Name: 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• SMILES: CCC(=O)CNc1ccc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)cc1C(F)(F)F.Cc1ccc(C(=O)Cc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2c(N)cccn12.Cc1cnc(NC(=O)c2ccc(C)c(C#Cc3cnc4c(NC(N)=O)cccn34)c2)s1.O=C(Cc1cccc(C(F)(F)F)c1)c1cncc(C#Cc2cnc3cccnn23)c1
• InChI: InChI=1S/C29H24F3N3O2.C28H20F3N5O.C22H13F3N4O.C22H18N6O2S/c1-3-24(36)18-33-26-12-8-20(14-25(26)29(30,31)32)15-27(37)22-9-7-19(2)21(16-22)10-11-23-17-34-28-6-4-5-13-35(23)28;1-18-4-5-21(14-20(18)6-7-23-16-34-27-25(32)3-2-9-36(23)27)26(37)13-19-11-22(28(29,30)31)15-24(12-19)35-10-8-33-17-35;23-22(24,25)18-4-1-3-15(10-18)11-20(30)17-9-16(12-26-13-17)6-7-19-14-27-21-5-2-8-28-29(19)21;1-13-5-6-16(20(29)27-22-25-11-14(2)31-22)10-15(13)7-8-17-12-24-19-18(26-21(23)30)4-3-9-28(17)19/h4-9,12-14,16-17,33H,3,15,18H2,1-2H3;2-5,8-12,14-17H,13,32H2,1H3;1-5,8-10,12-14H,11H2;3-6,9-12H,1-2H3,(H3,23,26,30)(H,25,27,29)
• InChIKey: NEPBXKWSPUWYMX-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 316.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.88
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 159758650) is 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone is CCC(=O)CNc1ccc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)cc1C(F)(F)F.Cc1ccc(C(=O)Cc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2c(N)cccn12.Cc1cnc(NC(=O)c2ccc(C)c(C#Cc3cnc4c(NC(N)=O)cccn34)c2)s1.O=C(Cc1cccc(C(F)(F)F)c1)c1cncc(C#Cc2cnc3cccnn23)c1.

What is the InChIKey of 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The InChIKey is NEPBXKWSPUWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3O2.C28H20F3N5O.C22H13F3N4O.C22H18N6O2S/c1-3-24(36)18-33-26-12-8-20(14-25(26)29(30,31)32)15-27(37)22-9-7-19(2)21(16-22)10-11-23-17-34-28-6-4-5-13-35(23)28;1-18-4-5-21(14-20(18)6-7-23-16-34-27-25(32)3-2-9-36(23)27)26(37)13-19-11-22(28(29,30)31)15-24(12-19)35-10-8-33-17-35;23-22(24,25)18-4-1-3-15(10-18)11-20(30)17-9-16(12-26-13-17)6-7-19-14-27-21-5-2-8-28-29(19)21;1-13-5-6-16(20(29)27-22-25-11-14(2)31-22)10-15(13)7-8-17-12-24-19-18(26-21(23)30)4-3-9-28(17)19/h4-9,12-14,16-17,33H,3,15,18H2,1-2H3;2-5,8-12,14-17H,13,32H2,1H3;1-5,8-10,12-14H,11H2;3-6,9-12H,1-2H3,(H3,23,26,30)(H,25,27,29).

What are the key properties of 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1839.88 g/mol, XLogP of 18.65, 17 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159758650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).