7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C219H239F7N50O33S2 — CID 160932695

IUPAC7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(C)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(F)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)C(C)O5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)CO5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CC5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4cccc(C/C(N)=N/C#N)c4)nc4ncnn34)(CC1)CC2.CS(=O)(=O)CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)cc4)nc4c(F)cnn34)(CC1)CC2.Cc1cc(CNC(=O)c2cc(C(=O)NCC34CCC(C(=O)CS(C)(=O)=O)(CC3)CC4)n3ncc(F)c3n2)ccc1F
InChIInChI=1S/C29H32N6O5.C28H31F2N5O5S.C28H31N9O3.C28H31N7O4.C28H30N6O5.C27H29F2N5O5S.C26H29FN6O3.C25H26F2N6O3/c1-17-23(37)12-20-11-19(3-4-24(20)40-17)14-30-25(38)21-13-22(35-27(34-21)32-16-33-35)26(39)31-15-28-5-8-29(9-6-28,10-7-28)18(2)36;1-17-11-18(3-4-19(17)29)13-31-25(37)21-12-22(35-24(34-21)20(30)14-33-35)26(38)32-16-27-5-8-28(9-6-27,10-7-27)23(36)15-41(2,39)40;1-18(38)28-8-5-27(6-9-28,7-10-28)15-32-25(40)22-13-21(36-26-34-17-35-37(22)26)24(39)31-14-20-4-2-3-19(11-20)12-23(30)33-16-29;1-17(36)28-9-6-27(7-10-28,8-11-28)15-30-25(39)22-13-21(34-26-31-16-32-35(22)26)24(38)29-14-18-2-3-19-4-5-23(37)33-20(19)12-18;1-17(35)28-7-4-27(5-8-28,6-9-28)15-30-25(38)22-12-21(33-26-31-16-32-34(22)26)24(37)29-13-18-2-3-23-19(10-18)11-20(36)14-39-23;1-40(38,39)15-22(35)27-9-6-26(7-10-27,8-11-27)16-31-25(37)21-12-20(33-23-19(29)14-32-34(21)23)24(36)30-13-17-2-4-18(28)5-3-17;1-16-11-18(3-4-19(16)27)13-28-22(35)20-12-21(33-24(32-20)30-15-31-33)23(36)29-14-25-5-8-26(9-6-25,10-7-25)17(2)34;1-15(34)25-7-4-24(5-8-25,6-9-25)13-29-22(36)20-11-19(32-23-30-14-31-33(20)23)21(35)28-12-16-2-3-17(26)18(27)10-16/h3-4,11,13,16-17H,5-10,12,14-15H2,1-2H3,(H,30,38)(H,31,39);3-4,11-12,14H,5-10,13,15-16H2,1-2H3,(H,31,37)(H,32,38);2-4,11,13,17H,5-10,12,14-15H2,1H3,(H2,30,33)(H,31,39)(H,32,40);2-3,12-13,16H,4-11,14-15H2,1H3,(H,29,38)(H,30,39)(H,33,37);2-3,10,12,16H,4-9,11,13-15H2,1H3,(H,29,37)(H,30,38);2-5,12,14H,6-11,13,15-16H2,1H3,(H,30,36)(H,31,37);3-4,11-12,15H,5-10,13-14H2,1-2H3,(H,28,35)(H,29,36);2-3,10-11,14H,4-9,12-13H2,1H3,(H,28,35)(H,29,36)
InChIKeySTLVYKQMPMTLQA-UHFFFAOYSA-N
MW4296.76 g/mol
LogP21.22
Rot. Bonds62

About 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 160932695) has the molecular formula C219H239F7N50O33S2 and a molecular weight of 4296.76 g/mol. Its IUPAC name is 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID160932695
Molecular FormulaC219H239F7N50O33S2
Molecular Weight4296.76 g/mol
Exact Mass4293.79
IUPAC Name7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(C)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(F)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)C(C)O5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)CO5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CC5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4cccc(C/C(N)=N/C#N)c4)nc4ncnn34)(CC1)CC2.CS(=O)(=O)CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)cc4)nc4c(F)cnn34)(CC1)CC2.Cc1cc(CNC(=O)c2cc(C(=O)NCC34CCC(C(=O)CS(C)(=O)=O)(CC3)CC4)n3ncc(F)c3n2)ccc1F
InChIInChI=1S/C29H32N6O5.C28H31F2N5O5S.C28H31N9O3.C28H31N7O4.C28H30N6O5.C27H29F2N5O5S.C26H29FN6O3.C25H26F2N6O3/c1-17-23(37)12-20-11-19(3-4-24(20)40-17)14-30-25(38)21-13-22(35-27(34-21)32-16-33-35)26(39)31-15-28-5-8-29(9-6-28,10-7-28)18(2)36;1-17-11-18(3-4-19(17)29)13-31-25(37)21-12-22(35-24(34-21)20(30)14-33-35)26(38)32-16-27-5-8-28(9-6-27,10-7-27)23(36)15-41(2,39)40;1-18(38)28-8-5-27(6-9-28,7-10-28)15-32-25(40)22-13-21(36-26-34-17-35-37(22)26)24(39)31-14-20-4-2-3-19(11-20)12-23(30)33-16-29;1-17(36)28-9-6-27(7-10-28,8-11-28)15-30-25(39)22-13-21(34-26-31-16-32-35(22)26)24(38)29-14-18-2-3-19-4-5-23(37)33-20(19)12-18;1-17(35)28-7-4-27(5-8-28,6-9-28)15-30-25(38)22-12-21(33-26-31-16-32-34(22)26)24(37)29-13-18-2-3-23-19(10-18)11-20(36)14-39-23;1-40(38,39)15-22(35)27-9-6-26(7-10-27,8-11-27)16-31-25(37)21-12-20(33-23-19(29)14-32-34(21)23)24(36)30-13-17-2-4-18(28)5-3-17;1-16-11-18(3-4-19(16)27)13-28-22(35)20-12-21(33-24(32-20)30-15-31-33)23(36)29-14-25-5-8-26(9-6-25,10-7-25)17(2)34;1-15(34)25-7-4-24(5-8-25,6-9-25)13-29-22(36)20-11-19(32-23-30-14-31-33(20)23)21(35)28-12-16-2-3-17(26)18(27)10-16/h3-4,11,13,16-17H,5-10,12,14-15H2,1-2H3,(H,30,38)(H,31,39);3-4,11-12,14H,5-10,13,15-16H2,1-2H3,(H,31,37)(H,32,38);2-4,11,13,17H,5-10,12,14-15H2,1H3,(H2,30,33)(H,31,39)(H,32,40);2-3,12-13,16H,4-11,14-15H2,1H3,(H,29,38)(H,30,39)(H,33,37);2-3,10,12,16H,4-9,11,13-15H2,1H3,(H,29,37)(H,30,38);2-5,12,14H,6-11,13,15-16H2,1H3,(H,30,36)(H,31,37);3-4,11-12,15H,5-10,13-14H2,1-2H3,(H,28,35)(H,29,36);2-3,10-11,14H,4-9,12-13H2,1H3,(H,28,35)(H,29,36)
InChIKeySTLVYKQMPMTLQA-UHFFFAOYSA-N
XLogP21.22
TPSA1133.17 Ų
H-Bond Donors18
H-Bond Acceptors65
Rotatable Bonds62
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004296.76
LogP ≤ 521.22
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1065

Analyze 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

7-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160959625
3-fluoro-7-N-[(4-methylsulfonylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 162189516
7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161242004
3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 162189515
3-fluoro-7-N-[(4-methylsulfonylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460658
7-N-[(4-carbamoylphenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462398
7-acetyl-3-fluoro-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-adamantylmethanamine
CID 158810581
7-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160959628
7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462964
3-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]benzoic acid
CID 59462172
3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157429466
7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(4-acetyl-1-bicyclo[2.2.2]octanyl)-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161018521

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 160932695) is 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(C)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(F)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)C(C)O5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)CO5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CC5)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4cccc(C/C(N)=N/C#N)c4)nc4ncnn34)(CC1)CC2.CS(=O)(=O)CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)cc4)nc4c(F)cnn34)(CC1)CC2.Cc1cc(CNC(=O)c2cc(C(=O)NCC34CCC(C(=O)CS(C)(=O)=O)(CC3)CC4)n3ncc(F)c3n2)ccc1F.
What is the InChIKey of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is STLVYKQMPMTLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O5.C28H31F2N5O5S.C28H31N9O3.C28H31N7O4.C28H30N6O5.C27H29F2N5O5S.C26H29FN6O3.C25H26F2N6O3/c1-17-23(37)12-20-11-19(3-4-24(20)40-17)14-30-25(38)21-13-22(35-27(34-21)32-16-33-35)26(39)31-15-28-5-8-29(9-6-28,10-7-28)18(2)36;1-17-11-18(3-4-19(17)29)13-31-25(37)21-12-22(35-24(34-21)20(30)14-33-35)26(38)32-16-27-5-8-28(9-6-27,10-7-27)23(36)15-41(2,39)40;1-18(38)28-8-5-27(6-9-28,7-10-28)15-32-25(40)22-13-21(36-26-34-17-35-37(22)26)24(39)31-14-20-4-2-3-19(11-20)12-23(30)33-16-29;1-17(36)28-9-6-27(7-10-28,8-11-28)15-30-25(39)22-13-21(34-26-31-16-32-35(22)26)24(38)29-14-18-2-3-19-4-5-23(37)33-20(19)12-18;1-17(35)28-7-4-27(5-8-28,6-9-28)15-30-25(38)22-12-21(33-26-31-16-32-34(22)26)24(37)29-13-18-2-3-23-19(10-18)11-20(36)14-39-23;1-40(38,39)15-22(35)27-9-6-26(7-10-27,8-11-27)16-31-25(37)21-12-20(33-23-19(29)14-32-34(21)23)24(36)30-13-17-2-4-18(28)5-3-17;1-16-11-18(3-4-19(16)27)13-28-22(35)20-12-21(33-24(32-20)30-15-31-33)23(36)29-14-25-5-8-26(9-6-25,10-7-25)17(2)34;1-15(34)25-7-4-24(5-8-25,6-9-25)13-29-22(36)20-11-19(32-23-30-14-31-33(20)23)21(35)28-12-16-2-3-17(26)18(27)10-16/h3-4,11,13,16-17H,5-10,12,14-15H2,1-2H3,(H,30,38)(H,31,39);3-4,11-12,14H,5-10,13,15-16H2,1-2H3,(H,31,37)(H,32,38);2-4,11,13,17H,5-10,12,14-15H2,1H3,(H2,30,33)(H,31,39)(H,32,40);2-3,12-13,16H,4-11,14-15H2,1H3,(H,29,38)(H,30,39)(H,33,37);2-3,10,12,16H,4-9,11,13-15H2,1H3,(H,29,37)(H,30,38);2-5,12,14H,6-11,13,15-16H2,1H3,(H,30,36)(H,31,37);3-4,11-12,15H,5-10,13-14H2,1-2H3,(H,28,35)(H,29,36);2-3,10-11,14H,4-9,12-13H2,1H3,(H,28,35)(H,29,36).
What are the key properties of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 4296.76 g/mol, XLogP of 21.22, 62 rotatable bonds, 18 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(2-amino-2-cyanoiminoethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-methyl-3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluorophenyl)methyl]-7-N-[[4-(2-methylsulfonylacetyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 160932695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).