2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide

C105H87F6N19O7 — CID 158648707

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 158648707) has the molecular formula C105H87F6N19O7 and a molecular weight of 1840.96 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide
• PubChem CID: 158648707
• Molecular Formula: C105H87F6N19O7
• Molecular Weight: 1840.96 g/mol
• Exact Mass: 1839.69
• IUPAC Name: 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide
• SMILES: CC(=O)Nc1cccn2c(C#Cc3cc(NC(=O)Nc4cc(C)ccn4)ccc3C)cnc12.Cc1ccc(C(=O)Cc2cc(C(C)(C)C)on2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1cn(-c2cc(CC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C28H20F3N5O.C28H23F3N4O2.C25H22N6O2.C24H22N4O2/c1-18-5-6-22(13-21(18)7-8-24-15-32-27-4-3-9-34-36(24)27)26(37)12-20-10-23(28(29,30)31)14-25(11-20)35-16-19(2)33-17-35;1-19-4-5-22(16-21(19)6-7-24-18-32-27-3-2-8-33-35(24)27)26(36)15-20-13-23(28(29,30)31)17-25(14-20)34-9-11-37-12-10-34;1-16-10-11-26-23(13-16)30-25(33)29-20-8-6-17(2)19(14-20)7-9-21-15-27-24-22(28-18(3)32)5-4-12-31(21)24;1-16-7-8-18(21(29)13-19-14-22(30-27-19)24(2,3)4)12-17(16)9-10-20-15-25-23-6-5-11-26-28(20)23/h3-6,9-11,13-17H,12H2,1-2H3;2-5,8,13-14,16-18H,9-12,15H2,1H3;4-6,8,10-15H,1-3H3,(H,28,32)(H2,26,29,30,33);5-8,11-12,14-15H,13H2,1-4H3
• InChIKey: IBHADECERVQUDJ-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 298.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.96
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	3
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 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide (CID 158648707) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide.

What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide is CC(=O)Nc1cccn2c(C#Cc3cc(NC(=O)Nc4cc(C)ccn4)ccc3C)cnc12.Cc1ccc(C(=O)Cc2cc(C(C)(C)C)on2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1cn(-c2cc(CC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

The InChIKey is IBHADECERVQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N5O.C28H23F3N4O2.C25H22N6O2.C24H22N4O2/c1-18-5-6-22(13-21(18)7-8-24-15-32-27-4-3-9-34-36(24)27)26(37)12-20-10-23(28(29,30)31)14-25(11-20)35-16-19(2)33-17-35;1-19-4-5-22(16-21(19)6-7-24-18-32-27-3-2-8-33-35(24)27)26(36)15-20-13-23(28(29,30)31)17-25(14-20)34-9-11-37-12-10-34;1-16-10-11-26-23(13-16)30-25(33)29-20-8-6-17(2)19(14-20)7-9-21-15-27-24-22(28-18(3)32)5-4-12-31(21)24;1-16-7-8-18(21(29)13-19-14-22(30-27-19)24(2,3)4)12-17(16)9-10-20-15-25-23-6-5-11-26-28(20)23/h3-6,9-11,13-17H,12H2,1-2H3;2-5,8,13-14,16-18H,9-12,15H2,1H3;4-6,8,10-15H,1-3H3,(H,28,32)(H2,26,29,30,33);5-8,11-12,14-15H,13H2,1-4H3.

What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide?

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 1840.96 g/mol, XLogP of 18.59, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 158648707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).