1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea

C212H251F4N44O24+5 — CID 157199709

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea (PubChem CID 157199709) has the molecular formula C212H251F4N44O24+5 and a molecular weight of 3875.62 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea
• PubChem CID: 157199709
• Molecular Formula: C212H251F4N44O24+5
• Molecular Weight: 3875.62 g/mol
• Exact Mass: 3872.97
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc4nc(OCCN5CCCCC5)ccn4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4C=C(C(F)(F)F)C(OCCCN5CCCCC5)=C[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4C=C(F)C(OCCCN5CCCCC5)=C[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4C=CC(OCCCN5CCCCC5)=N[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cc4nc(OCCCN5CCCCC5)ccn4n3)cc2)no1.COC1=CC2N=C(C#Cc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)C=[N+]2C=C1OCCCN1CCCCC1.COCCCC1=CC2N=C(C#Cc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)C=[N+]2C=C1OCCOC
• InChI: InChI=1S/C32H35F3N6O3.C32H38N6O4.C31H35FN6O3.2C30H35N7O3.C30H35N5O5.C27H33N7O3/c1-31(2,3)27-19-28(39-44-27)38-30(42)37-23-11-8-22(9-12-23)10-13-24-20-41-21-26(25(32(33,34)35)18-29(41)36-24)43-17-7-16-40-14-5-4-6-15-40;1-32(2,3)28-20-29(36-42-28)35-31(39)34-24-12-9-23(10-13-24)11-14-25-21-38-22-27(26(40-4)19-30(38)33-25)41-18-8-17-37-15-6-5-7-16-37;1-31(2,3)27-19-28(36-41-27)35-30(39)34-23-11-8-22(9-12-23)10-13-24-20-38-21-26(25(32)18-29(38)33-24)40-17-7-16-37-14-5-4-6-15-37;1-30(2,3)25-20-26(35-40-25)33-29(38)32-23-11-8-22(9-12-23)10-13-24-21-37-27(31-24)14-15-28(34-37)39-19-7-18-36-16-5-4-6-17-36;1-30(2,3)25-21-26(35-40-25)32-29(38)31-23-11-8-22(9-12-23)10-13-24-20-27-33-28(14-18-37(27)34-24)39-19-7-17-36-15-5-4-6-16-36;1-30(2,3)26-18-27(34-40-26)33-29(36)32-23-11-8-21(9-12-23)10-13-24-19-35-20-25(39-16-15-38-5)22(7-6-14-37-4)17-28(35)31-24;1-27(2,3)22-18-23(32-37-22)29-26(35)28-20-9-7-19(8-10-20)21-17-24-30-25(11-14-34(24)31-21)36-16-15-33-12-5-4-6-13-33/h8-9,11-12,18-21,29H,4-7,14-17H2,1-3H3,(H-,36,37,38,39,42);9-10,12-13,19-22,30H,5-8,15-18H2,1-4H3,(H-,33,34,35,36,39);8-9,11-12,18-21,29H,4-7,14-17H2,1-3H3,(H-,33,34,35,36,39);8-9,11-12,14-15,20-21,27H,4-7,16-19H2,1-3H3,(H-,31,32,33,35,38);8-9,11-12,14,18,20-21H,4-7,15-17,19H2,1-3H3,(H2,31,32,35,38);8-9,11-12,17-20,28H,6-7,14-16H2,1-5H3,(H-,31,32,33,34,36);7-11,14,17-18H,4-6,12-13,15-16H2,1-3H3,(H2,28,29,32,35)/p+5
• InChIKey: JYDNLUFMRHNSKQ-UHFFFAOYSA-S
• XLogP: 36.42
• TPSA: 731.45 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 49
• Rotatable Bonds: 52
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3875.62
LogP ≤ 5	36.42
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea (CID 157199709) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc4nc(OCCN5CCCCC5)ccn4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4C=C(C(F)(F)F)C(OCCCN5CCCCC5)=C[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4C=C(F)C(OCCCN5CCCCC5)=C[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4C=CC(OCCCN5CCCCC5)=N[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cc4nc(OCCCN5CCCCC5)ccn4n3)cc2)no1.COC1=CC2N=C(C#Cc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)C=[N+]2C=C1OCCCN1CCCCC1.COCCCC1=CC2N=C(C#Cc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)C=[N+]2C=C1OCCOC.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea?

The InChIKey is JYDNLUFMRHNSKQ-UHFFFAOYSA-S. The full InChI is InChI=1S/C32H35F3N6O3.C32H38N6O4.C31H35FN6O3.2C30H35N7O3.C30H35N5O5.C27H33N7O3/c1-31(2,3)27-19-28(39-44-27)38-30(42)37-23-11-8-22(9-12-23)10-13-24-20-41-21-26(25(32(33,34)35)18-29(41)36-24)43-17-7-16-40-14-5-4-6-15-40;1-32(2,3)28-20-29(36-42-28)35-31(39)34-24-12-9-23(10-13-24)11-14-25-21-38-22-27(26(40-4)19-30(38)33-25)41-18-8-17-37-15-6-5-7-16-37;1-31(2,3)27-19-28(36-41-27)35-30(39)34-23-11-8-22(9-12-23)10-13-24-20-38-21-26(25(32)18-29(38)33-24)40-17-7-16-37-14-5-4-6-15-37;1-30(2,3)25-20-26(35-40-25)33-29(38)32-23-11-8-22(9-12-23)10-13-24-21-37-27(31-24)14-15-28(34-37)39-19-7-18-36-16-5-4-6-17-36;1-30(2,3)25-21-26(35-40-25)32-29(38)31-23-11-8-22(9-12-23)10-13-24-20-27-33-28(14-18-37(27)34-24)39-19-7-17-36-15-5-4-6-16-36;1-30(2,3)26-18-27(34-40-26)33-29(36)32-23-11-8-21(9-12-23)10-13-24-19-35-20-25(39-16-15-38-5)22(7-6-14-37-4)17-28(35)31-24;1-27(2,3)22-18-23(32-37-22)29-26(35)28-20-9-7-19(8-10-20)21-17-24-30-25(11-14-34(24)31-21)36-16-15-33-12-5-4-6-13-33/h8-9,11-12,18-21,29H,4-7,14-17H2,1-3H3,(H-,36,37,38,39,42);9-10,12-13,19-22,30H,5-8,15-18H2,1-4H3,(H-,33,34,35,36,39);8-9,11-12,18-21,29H,4-7,14-17H2,1-3H3,(H-,33,34,35,36,39);8-9,11-12,14-15,20-21,27H,4-7,16-19H2,1-3H3,(H-,31,32,33,35,38);8-9,11-12,14,18,20-21H,4-7,15-17,19H2,1-3H3,(H2,31,32,35,38);8-9,11-12,17-20,28H,6-7,14-16H2,1-5H3,(H-,31,32,33,34,36);7-11,14,17-18H,4-6,12-13,15-16H2,1-3H3,(H2,28,29,32,35)/p+5.

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea has a molecular weight of 3875.62 g/mol, XLogP of 36.42, 52 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-fluoro-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-methoxyethoxy)-7-(3-methoxypropyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-methoxy-6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-b]pyridazin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridin-4-ium-2-yl]ethynyl]phenyl]urea is sourced from PubChem (CID 157199709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).