N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one

C157H179N25O15 — CID 161135805

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one (PubChem CID 161135805) has the molecular formula C157H179N25O15 and a molecular weight of 2656.32 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one
• PubChem CID: 161135805
• Molecular Formula: C157H179N25O15
• Molecular Weight: 2656.32 g/mol
• Exact Mass: 2654.40
• IUPAC Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one
• SMILES: CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnc4c(OCCCN5CCCCC5)ccnn34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnc4c(OCCN5CCCCC5)ccnn34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4cc(OCCCN5CCCCC5)cc4c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3cnn4cc(OCCN5CCCCC5)cc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Cc2ccc(C#Cc3cnc4cc(OCCN5CCCCC5)cnn34)cc2)no1
• InChI: InChI=1S/C33H38N4O3.C32H37N5O3.2C31H35N5O3.C30H34N6O3/c1-33(2,3)32-21-28(35-40-32)20-30(38)19-26-11-8-25(9-12-26)10-13-27-18-29-22-31(24-37(29)34-23-27)39-17-7-16-36-14-5-4-6-15-36;1-32(2,3)30-22-26(35-40-30)21-28(38)20-25-10-8-24(9-11-25)12-13-27-23-33-31-29(14-15-34-37(27)31)39-19-7-18-36-16-5-4-6-17-36;1-31(2,3)29-21-25(34-39-29)20-27(37)19-24-9-7-23(8-10-24)11-12-26-22-32-30-28(13-14-33-36(26)30)38-18-17-35-15-5-4-6-16-35;1-31(2,3)29-18-26(34-39-29)19-30(37)33-25-11-9-23(10-12-25)7-8-24-17-27-20-28(22-36(27)32-21-24)38-16-15-35-13-5-4-6-14-35;1-30(2,3)26-19-27(34-39-26)33-29(37)17-23-9-7-22(8-10-23)11-12-24-20-31-28-18-25(21-32-36(24)28)38-16-15-35-13-5-4-6-14-35/h8-9,11-12,18,21-24H,4-7,14-17,19-20H2,1-3H3;8-11,14-15,22-23H,4-7,16-21H2,1-3H3;7-10,13-14,21-22H,4-6,15-20H2,1-3H3;9-12,17-18,20-22H,4-6,13-16,19H2,1-3H3,(H,33,37);7-10,18-21H,4-6,13-17H2,1-3H3,(H,33,34,37)
• InChIKey: UMTWOPFYNYCOND-UHFFFAOYSA-N
• XLogP: 24.81
• TPSA: 427.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2656.32
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

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 N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one?

The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one (CID 161135805) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one.

What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one?

The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one is CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnc4c(OCCCN5CCCCC5)ccnn34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnc4c(OCCN5CCCCC5)ccnn34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4cc(OCCCN5CCCCC5)cc4c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3cnn4cc(OCCN5CCCCC5)cc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Cc2ccc(C#Cc3cnc4cc(OCCN5CCCCC5)cnn34)cc2)no1.

What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one?

The InChIKey is UMTWOPFYNYCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O3.C32H37N5O3.2C31H35N5O3.C30H34N6O3/c1-33(2,3)32-21-28(35-40-32)20-30(38)19-26-11-8-25(9-12-26)10-13-27-18-29-22-31(24-37(29)34-23-27)39-17-7-16-36-14-5-4-6-15-36;1-32(2,3)30-22-26(35-40-30)21-28(38)20-25-10-8-24(9-11-25)12-13-27-23-33-31-29(14-15-34-37(27)31)39-19-7-18-36-16-5-4-6-17-36;1-31(2,3)29-21-25(34-39-29)20-27(37)19-24-9-7-23(8-10-24)11-12-26-22-32-30-28(13-14-33-36(26)30)38-18-17-35-15-5-4-6-16-35;1-31(2,3)29-18-26(34-39-29)19-30(37)33-25-11-9-23(10-12-25)7-8-24-17-27-20-28(22-36(27)32-21-24)38-16-15-35-13-5-4-6-14-35;1-30(2,3)26-19-27(34-39-26)33-29(37)17-23-9-7-22(8-10-23)11-12-24-20-31-28-18-25(21-32-36(24)28)38-16-15-35-13-5-4-6-14-35/h8-9,11-12,18,21-24H,4-7,14-17,19-20H2,1-3H3;8-11,14-15,22-23H,4-7,16-21H2,1-3H3;7-10,13-14,21-22H,4-6,15-20H2,1-3H3;9-12,17-18,20-22H,4-6,13-16,19H2,1-3H3,(H,33,37);7-10,18-21H,4-6,13-17H2,1-3H3,(H,33,34,37).

What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one?

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one has a molecular weight of 2656.32 g/mol, XLogP of 24.81, 40 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[8-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one is sourced from PubChem (CID 161135805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).