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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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 162262938) has the molecular formula C185H217F4N29O18
and a molecular weight of 3210.95 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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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.
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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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 162262938) 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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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#Cc3cc4nc(OCCCN5CCCCC5)ccn4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4cc(OCCCN5CCCCC5)cnc4n3)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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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 ZZMQDUUGZUEJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N4O3.C32H37N3O3.C31H38N4O3.C30H35FN4O3.2C30H35N7O3/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/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);8-9,11-12,18-21H,4-7,14-17H2,1-3H3,(H2,33,34,35,38).
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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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 3210.95 g/mol, XLogP of 30.83, 44 rotatable bonds, 8 hydrogen bond donors, and 39 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-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyrimidin-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 162262938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).