N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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

C214H251F4N36O21+ — CID 161360656

About N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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

N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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 (PubChem CID 161360656) has the molecular formula C214H251F4N36O21+ and a molecular weight of 3739.58 g/mol. Its IUPAC name is N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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.

Molecular Properties

• Compound Name: N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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
• PubChem CID: 161360656
• Molecular Formula: C214H251F4N36O21+
• Molecular Weight: 3739.58 g/mol
• Exact Mass: 3736.96
• IUPAC Name: N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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
• SMILES: CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(OCCCN4CC5CCC4C5)cc3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4N=CC(OCCCN5CCCCC5)=C[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cc4nc(OCCCN5CCCCC5)ccn4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cnc4ccc(OCCN5CCCCC5)nn34)cc2)no1.CN1CCN(CCCOc2ccc(C#Cc3ccc(NC(=O)Cc4cc(C(C)(C)C)on4)cc3)cc2C(F)(F)F)CC1.CN1CCN(CCOc2ccc(C#Cc3ccc(NC(=O)Cc4cc(C(C)(C)C)on4)cc3)c(F)c2)CC1.Cc1cc(OCCN2CCN(C)CC2)ccc1C#Cc1ccc(NC(=O)Cc2cc(C(C)(C)C)on2)cc1
• InChI: InChI=1S/C32H37F3N4O3.C32H37N3O3.C31H38N4O3.C30H35FN4O3.2C30H35N7O3.C29H33N7O3/c1-31(2,3)29-21-26(37-42-29)22-30(40)36-25-11-8-23(9-12-25)6-7-24-10-13-28(27(20-24)32(33,34)35)41-19-5-14-39-17-15-38(4)16-18-39;1-32(2,3)30-20-27(34-38-30)21-31(36)33-26-12-7-23(8-13-26)5-6-24-10-15-29(16-11-24)37-18-4-17-35-22-25-9-14-28(35)19-25;1-23-20-28(37-19-18-35-16-14-34(5)15-17-35)13-10-25(23)9-6-24-7-11-26(12-8-24)32-30(36)22-27-21-29(38-33-27)31(2,3)4;1-30(2,3)28-19-25(33-38-28)20-29(36)32-24-10-6-22(7-11-24)5-8-23-9-12-26(21-27(23)31)37-18-17-35-15-13-34(4)14-16-35;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(35-40-26)34-29(38)33-23-11-8-22(9-12-23)10-13-24-20-37-21-25(19-31-28(37)32-24)39-17-7-16-36-14-5-4-6-15-36;1-29(2,3)24-19-25(34-39-24)32-28(37)31-22-10-7-21(8-11-22)9-12-23-20-30-26-13-14-27(33-36(23)26)38-18-17-35-15-5-4-6-16-35/h8-13,20-21H,5,14-19,22H2,1-4H3,(H,36,40);7-8,10-13,15-16,20,25,28H,4,9,14,17-19,21-22H2,1-3H3,(H,33,36);7-8,10-13,20-21H,14-19,22H2,1-5H3,(H,32,36);6-7,9-12,19,21H,13-18,20H2,1-4H3,(H,32,36);8-9,11-12,14,18,20-21H,4-7,15-17,19H2,1-3H3,(H2,31,32,35,38);8-9,11-12,18-21,28H,4-7,14-17H2,1-3H3,(H-,32,33,34,35,38);7-8,10-11,13-14,19-20H,4-6,15-18H2,1-3H3,(H2,31,32,34,37)/p+1
• InChIKey: LQBBYCKZILXURO-UHFFFAOYSA-O
• XLogP: 35.04
• TPSA: 607.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 50
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3739.58
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

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 N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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?

The IUPAC name of N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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 (CID 161360656) is N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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.

What is the SMILES notation for N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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?

The canonical SMILES for N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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 is CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(OCCCN4CC5CCC4C5)cc3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#CC3=NC4N=CC(OCCCN5CCCCC5)=C[N+]4=C3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cc4nc(OCCCN5CCCCC5)ccn4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cnc4ccc(OCCN5CCCCC5)nn34)cc2)no1.CN1CCN(CCCOc2ccc(C#Cc3ccc(NC(=O)Cc4cc(C(C)(C)C)on4)cc3)cc2C(F)(F)F)CC1.CN1CCN(CCOc2ccc(C#Cc3ccc(NC(=O)Cc4cc(C(C)(C)C)on4)cc3)c(F)c2)CC1.Cc1cc(OCCN2CCN(C)CC2)ccc1C#Cc1ccc(NC(=O)Cc2cc(C(C)(C)C)on2)cc1.

What is the InChIKey of N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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?

The InChIKey is LQBBYCKZILXURO-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H37F3N4O3.C32H37N3O3.C31H38N4O3.C30H35FN4O3.2C30H35N7O3.C29H33N7O3/c1-31(2,3)29-21-26(37-42-29)22-30(40)36-25-11-8-23(9-12-25)6-7-24-10-13-28(27(20-24)32(33,34)35)41-19-5-14-39-17-15-38(4)16-18-39;1-32(2,3)30-20-27(34-38-30)21-31(36)33-26-12-7-23(8-13-26)5-6-24-10-15-29(16-11-24)37-18-4-17-35-22-25-9-14-28(35)19-25;1-23-20-28(37-19-18-35-16-14-34(5)15-17-35)13-10-25(23)9-6-24-7-11-26(12-8-24)32-30(36)22-27-21-29(38-33-27)31(2,3)4;1-30(2,3)28-19-25(33-38-28)20-29(36)32-24-10-6-22(7-11-24)5-8-23-9-12-26(21-27(23)31)37-18-17-35-15-13-34(4)14-16-35;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(35-40-26)34-29(38)33-23-11-8-22(9-12-23)10-13-24-20-37-21-25(19-31-28(37)32-24)39-17-7-16-36-14-5-4-6-15-36;1-29(2,3)24-19-25(34-39-24)32-28(37)31-22-10-7-21(8-11-22)9-12-23-20-30-26-13-14-27(33-36(23)26)38-18-17-35-15-5-4-6-16-35/h8-13,20-21H,5,14-19,22H2,1-4H3,(H,36,40);7-8,10-13,15-16,20,25,28H,4,9,14,17-19,21-22H2,1-3H3,(H,33,36);7-8,10-13,20-21H,14-19,22H2,1-5H3,(H,32,36);6-7,9-12,19,21H,13-18,20H2,1-4H3,(H,32,36);8-9,11-12,14,18,20-21H,4-7,15-17,19H2,1-3H3,(H2,31,32,35,38);8-9,11-12,18-21,28H,4-7,14-17H2,1-3H3,(H-,32,33,34,35,38);7-8,10-11,13-14,19-20H,4-6,15-18H2,1-3H3,(H2,31,32,34,37)/p+1.

What are the key properties of N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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?

N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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 has a molecular weight of 3739.58 g/mol, XLogP of 35.04, 50 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-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 is sourced from PubChem (CID 161360656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).