1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one

C265H301Cl2F7N20O24 — CID 158497590

IUPAC1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5(CCC5)C4)c(C(F)(F)F)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5(CCC5)C4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5CCC4C5)cc3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)c(C(F)(F)F)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)cc3F)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cn3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4c(OCCN5CCCCC5)ccnc34)cc2)no1
InChIInChI=1S/C35H39F3N2O3.C34H39ClN2O3.C34H37F3N2O3.C34H39FN2O3.C33H37ClN2O3.C33H38N2O3.C31H35N5O3.C31H37N3O3/c1-33(2,3)32-23-28(39-43-32)22-29(41)20-26-9-6-25(7-10-26)8-11-27-12-13-31(30(21-27)35(36,37)38)42-19-5-17-40-18-16-34(24-40)14-4-15-34;1-33(2,3)32-23-28(36-40-32)22-29(38)20-26-9-6-25(7-10-26)8-11-27-12-13-31(30(35)21-27)39-19-5-17-37-18-16-34(24-37)14-4-15-34;1-32(2,3)31-21-27(38-42-31)20-28(40)18-25-9-6-24(7-10-25)8-11-26-12-13-30(29(19-26)34(35,36)37)41-17-5-16-39-22-33(23-39)14-4-15-33;1-33(2,3)32-22-28(36-40-32)21-29(38)20-26-8-6-25(7-9-26)10-11-27-12-13-30(23-31(27)35)39-19-5-17-37-18-16-34(24-37)14-4-15-34;1-32(2,3)31-21-27(35-39-31)20-28(37)18-25-9-6-24(7-10-25)8-11-26-12-13-30(29(34)19-26)38-17-5-16-36-22-33(23-36)14-4-15-33;1-33(2,3)32-22-28(34-38-32)21-30(36)20-26-9-7-24(8-10-26)5-6-25-12-15-31(16-13-25)37-18-4-17-35-23-27-11-14-29(35)19-27;1-31(2,3)28-21-26(34-39-28)20-27(37)19-24-9-7-23(8-10-24)11-12-25-22-33-36-29(13-14-32-30(25)36)38-18-17-35-15-5-4-6-16-35;1-31(2,3)30-22-27(33-37-30)21-28(35)20-25-10-8-24(9-11-25)12-13-26-14-15-29(23-32-26)36-19-7-18-34-16-5-4-6-17-34/h6-7,9-10,12-13,21,23H,4-5,14-20,22,24H2,1-3H3;6-7,9-10,12-13,21,23H,4-5,14-20,22,24H2,1-3H3;6-7,9-10,12-13,19,21H,4-5,14-18,20,22-23H2,1-3H3;6-9,12-13,22-23H,4-5,14-21,24H2,1-3H3;6-7,9-10,12-13,19,21H,4-5,14-18,20,22-23H2,1-3H3;7-10,12-13,15-16,22,27,29H,4,11,14,17-21,23H2,1-3H3;7-10,13-14,21-22H,4-6,15-20H2,1-3H3;8-11,14-15,22-23H,4-7,16-21H2,1-3H3
InChIKeyHJMIKQITIVJZDU-UHFFFAOYSA-N
MW4354.33 g/mol
LogP50.55
Rot. Bonds71

About 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one

1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one (PubChem CID 158497590) has the molecular formula C265H301Cl2F7N20O24 and a molecular weight of 4354.33 g/mol. Its IUPAC name is 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one
PubChem CID158497590
Molecular FormulaC265H301Cl2F7N20O24
Molecular Weight4354.33 g/mol
Exact Mass4350.22
IUPAC Name1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5(CCC5)C4)c(C(F)(F)F)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5(CCC5)C4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5CCC4C5)cc3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)c(C(F)(F)F)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)cc3F)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cn3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4c(OCCN5CCCCC5)ccnc34)cc2)no1
InChIInChI=1S/C35H39F3N2O3.C34H39ClN2O3.C34H37F3N2O3.C34H39FN2O3.C33H37ClN2O3.C33H38N2O3.C31H35N5O3.C31H37N3O3/c1-33(2,3)32-23-28(39-43-32)22-29(41)20-26-9-6-25(7-10-26)8-11-27-12-13-31(30(21-27)35(36,37)38)42-19-5-17-40-18-16-34(24-40)14-4-15-34;1-33(2,3)32-23-28(36-40-32)22-29(38)20-26-9-6-25(7-10-26)8-11-27-12-13-31(30(35)21-27)39-19-5-17-37-18-16-34(24-37)14-4-15-34;1-32(2,3)31-21-27(38-42-31)20-28(40)18-25-9-6-24(7-10-25)8-11-26-12-13-30(29(19-26)34(35,36)37)41-17-5-16-39-22-33(23-39)14-4-15-33;1-33(2,3)32-22-28(36-40-32)21-29(38)20-26-8-6-25(7-9-26)10-11-27-12-13-30(23-31(27)35)39-19-5-17-37-18-16-34(24-37)14-4-15-34;1-32(2,3)31-21-27(35-39-31)20-28(37)18-25-9-6-24(7-10-25)8-11-26-12-13-30(29(34)19-26)38-17-5-16-36-22-33(23-36)14-4-15-33;1-33(2,3)32-22-28(34-38-32)21-30(36)20-26-9-7-24(8-10-26)5-6-25-12-15-31(16-13-25)37-18-4-17-35-23-27-11-14-29(35)19-27;1-31(2,3)28-21-26(34-39-28)20-27(37)19-24-9-7-23(8-10-24)11-12-25-22-33-36-29(13-14-32-30(25)36)38-18-17-35-15-5-4-6-16-35;1-31(2,3)30-22-27(33-37-30)21-28(35)20-25-10-8-24(9-11-25)12-13-26-14-15-29(23-32-26)36-19-7-18-34-16-5-4-6-17-34/h6-7,9-10,12-13,21,23H,4-5,14-20,22,24H2,1-3H3;6-7,9-10,12-13,21,23H,4-5,14-20,22,24H2,1-3H3;6-7,9-10,12-13,19,21H,4-5,14-18,20,22-23H2,1-3H3;6-9,12-13,22-23H,4-5,14-21,24H2,1-3H3;6-7,9-10,12-13,19,21H,4-5,14-18,20,22-23H2,1-3H3;7-10,12-13,15-16,22,27,29H,4,11,14,17-21,23H2,1-3H3;7-10,13-14,21-22H,4-6,15-20H2,1-3H3;8-11,14-15,22-23H,4-7,16-21H2,1-3H3
InChIKeyHJMIKQITIVJZDU-UHFFFAOYSA-N
XLogP50.55
TPSA487.64 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds71
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004354.33
LogP ≤ 550.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one with MolForge

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What is the IUPAC name of 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one (CID 158497590) is 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one is CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5(CCC5)C4)c(C(F)(F)F)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5(CCC5)C4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CC5CCC4C5)cc3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)c(C(F)(F)F)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCC5(CCC5)C4)cc3F)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cn3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4c(OCCN5CCCCC5)ccnc34)cc2)no1.
What is the InChIKey of 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one?
The InChIKey is HJMIKQITIVJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F3N2O3.C34H39ClN2O3.C34H37F3N2O3.C34H39FN2O3.C33H37ClN2O3.C33H38N2O3.C31H35N5O3.C31H37N3O3/c1-33(2,3)32-23-28(39-43-32)22-29(41)20-26-9-6-25(7-10-26)8-11-27-12-13-31(30(21-27)35(36,37)38)42-19-5-17-40-18-16-34(24-40)14-4-15-34;1-33(2,3)32-23-28(36-40-32)22-29(38)20-26-9-6-25(7-10-26)8-11-27-12-13-31(30(35)21-27)39-19-5-17-37-18-16-34(24-37)14-4-15-34;1-32(2,3)31-21-27(38-42-31)20-28(40)18-25-9-6-24(7-10-25)8-11-26-12-13-30(29(19-26)34(35,36)37)41-17-5-16-39-22-33(23-39)14-4-15-33;1-33(2,3)32-22-28(36-40-32)21-29(38)20-26-8-6-25(7-9-26)10-11-27-12-13-30(23-31(27)35)39-19-5-17-37-18-16-34(24-37)14-4-15-34;1-32(2,3)31-21-27(35-39-31)20-28(37)18-25-9-6-24(7-10-25)8-11-26-12-13-30(29(34)19-26)38-17-5-16-36-22-33(23-36)14-4-15-33;1-33(2,3)32-22-28(34-38-32)21-30(36)20-26-9-7-24(8-10-26)5-6-25-12-15-31(16-13-25)37-18-4-17-35-23-27-11-14-29(35)19-27;1-31(2,3)28-21-26(34-39-28)20-27(37)19-24-9-7-23(8-10-24)11-12-25-22-33-36-29(13-14-32-30(25)36)38-18-17-35-15-5-4-6-16-35;1-31(2,3)30-22-27(33-37-30)21-28(35)20-25-10-8-24(9-11-25)12-13-26-14-15-29(23-32-26)36-19-7-18-34-16-5-4-6-17-34/h6-7,9-10,12-13,21,23H,4-5,14-20,22,24H2,1-3H3;6-7,9-10,12-13,21,23H,4-5,14-20,22,24H2,1-3H3;6-7,9-10,12-13,19,21H,4-5,14-18,20,22-23H2,1-3H3;6-9,12-13,22-23H,4-5,14-21,24H2,1-3H3;6-7,9-10,12-13,19,21H,4-5,14-18,20,22-23H2,1-3H3;7-10,12-13,15-16,22,27,29H,4,11,14,17-21,23H2,1-3H3;7-10,13-14,21-22H,4-6,15-20H2,1-3H3;8-11,14-15,22-23H,4-7,16-21H2,1-3H3.
What are the key properties of 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one?
1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one has a molecular weight of 4354.33 g/mol, XLogP of 50.55, 71 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(2-azaspiro[3.3]heptan-2-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-chlorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-2-fluorophenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-[4-[2-[4-[3-(6-azaspiro[3.4]octan-6-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-one is sourced from PubChem (CID 158497590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).