About 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea
1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea (PubChem CID 160800130) has the molecular formula C148H169FN32O15
and a molecular weight of 2655.19 g/mol. Its IUPAC name is 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea.
Frequently Asked Questions
What is the IUPAC name of 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea?
The IUPAC name of 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea (CID 160800130) is 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea.
What is the SMILES notation for 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea?
The canonical SMILES for 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea is CC(C)(C)c1cc(NC(=O)Nc2cc3ncc(C#Cc4ccc(OCCCN5CCCCC5)cc4)cn3n2)no1.CC(C)(C)c1cc(NC(=O)Nc2cc3ncc(C#Cc4ccc(OCCN5CC6CCC5C6)cc4)cn3n2)no1.CC(C)(C)c1cc(NC(=O)Nc2cc3ncc(C#Cc4ccc(OCCN5CCCCC5)cc4)cn3n2)no1.CC1(F)CCN(CCOc2ccc(C#Cc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)cc3)cn2)C1.CN1CCN(CCOc2ccc(C#Cc3cnc4cc(NC(=O)Nc5cc(C(C)(C)C)on5)nn4c3)cc2)CC1.
What is the InChIKey of 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea?
The InChIKey is SCYTZBYFTWGYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O3.C30H33N7O3.C30H35N7O3.C29H34N8O3.C29H33N7O3/c1-29(2,3)27-19-25(33-37-27)18-26(35)17-23-8-5-22(6-9-23)7-10-24-11-12-28(32-20-24)36-16-15-34-14-13-30(4,31)21-34;1-30(2,3)25-15-27(35-40-25)33-29(38)32-26-16-28-31-17-22(19-37(28)34-26)5-4-20-7-10-24(11-8-20)39-13-12-36-18-21-6-9-23(36)14-21;1-30(2,3)25-18-27(35-40-25)33-29(38)32-26-19-28-31-20-23(21-37(28)34-26)9-8-22-10-12-24(13-11-22)39-17-7-16-36-14-5-4-6-15-36;1-29(2,3)24-17-26(34-40-24)32-28(38)31-25-18-27-30-19-22(20-37(27)33-25)6-5-21-7-9-23(10-8-21)39-16-15-36-13-11-35(4)12-14-36;1-29(2,3)24-17-26(34-39-24)32-28(37)31-25-18-27-30-19-22(20-36(27)33-25)8-7-21-9-11-23(12-10-21)38-16-15-35-13-5-4-6-14-35/h5-6,8-9,11-12,19-20H,13-18,21H2,1-4H3;7-8,10-11,15-17,19,21,23H,6,9,12-14,18H2,1-3H3,(H2,32,33,34,35,38);10-13,18-21H,4-7,14-17H2,1-3H3,(H2,32,33,34,35,38);7-10,17-20H,11-16H2,1-4H3,(H2,31,32,33,34,38);9-12,17-20H,4-6,13-16H2,1-3H3,(H2,31,32,33,34,37).
What are the key properties of 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea?
1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea has a molecular weight of 2655.19 g/mol, XLogP of 23.78, 33 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]-3-pyridinyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]urea is sourced from PubChem (CID 160800130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).