2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone

C189H252F6N74O17S5 — CID 157155398

IUPAC2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
SMILESCN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)C5CC(F)C5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)N5CC(F)(F)C5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)C5CCCCC5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)CCCC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)c5cccnc5)cccn4n3)cn2)CC1.CSC1CCN(C(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)C1.CSC1CN(C(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)C1
InChIInChI=1S/C28H39N11O2S.C28H40N10O3S.C27H35FN10O2.C27H33N11O3S.C27H37N11O2S.C26H35F3N10O3S.C26H33F2N11O2/c1-33-10-12-34(13-11-33)25(40)19-37-15-20(14-29-37)30-27-31-26-24(4-3-8-38(26)32-27)36-16-21-5-6-22(17-36)39(21)28(41)35-9-7-23(18-35)42-2;1-33-12-14-34(15-13-33)26(39)20-36-17-21(16-29-36)30-28-31-27-25(8-5-11-37(27)32-28)35-18-22-9-10-23(19-35)38(22)42(40,41)24-6-3-2-4-7-24;1-33-7-9-34(10-8-33)24(39)17-36-14-20(13-29-36)30-27-31-25-23(3-2-6-37(25)32-27)35-15-21-4-5-22(16-35)38(21)26(40)18-11-19(28)12-18;1-33-10-12-34(13-11-33)25(39)19-36-16-20(14-29-36)30-27-31-26-24(5-3-9-37(26)32-27)35-17-21-6-7-22(18-35)38(21)42(40,41)23-4-2-8-28-15-23;1-32-8-10-33(11-9-32)24(39)18-36-13-19(12-28-36)29-26-30-25-23(4-3-7-37(25)31-26)34-14-20-5-6-21(15-34)38(20)27(40)35-16-22(17-35)41-2;1-34-9-11-35(12-10-34)23(40)18-37-15-19(14-30-37)31-25-32-24-22(4-2-8-38(24)33-25)36-16-20-5-6-21(17-36)39(20)43(41,42)13-3-7-26(27,28)29;1-33-7-9-34(10-8-33)22(40)15-37-12-18(11-29-37)30-24-31-23-21(3-2-6-38(23)32-24)35-13-19-4-5-20(14-35)39(19)25(41)36-16-26(27,28)17-36/h3-4,8,14-15,21-23H,5-7,9-13,16-19H2,1-2H3,(H,30,32);5,8,11,16-17,22-24H,2-4,6-7,9-10,12-15,18-20H2,1H3,(H,30,32);2-3,6,13-14,18-19,21-22H,4-5,7-12,15-17H2,1H3,(H,30,32);2-5,8-9,14-16,21-22H,6-7,10-13,17-19H2,1H3,(H,30,32);3-4,7,12-13,20-22H,5-6,8-11,14-18H2,1-2H3,(H,29,31);2,4,8,14-15,20-21H,3,5-7,9-13,16-18H2,1H3,(H,31,33);2-3,6,11-12,19-20H,4-5,7-10,13-17H2,1H3,(H,30,32)
InChIKeyALTASZLGMWILBE-UHFFFAOYSA-N
MW4106.92 g/mol
LogP9.86
Rot. Bonds46

About 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone

2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone (PubChem CID 157155398) has the molecular formula C189H252F6N74O17S5 and a molecular weight of 4106.92 g/mol. Its IUPAC name is 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
PubChem CID157155398
Molecular FormulaC189H252F6N74O17S5
Molecular Weight4106.92 g/mol
Exact Mass4103.96
IUPAC Name2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
SMILESCN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)C5CC(F)C5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)N5CC(F)(F)C5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)C5CCCCC5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)CCCC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)c5cccnc5)cccn4n3)cn2)CC1.CSC1CCN(C(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)C1.CSC1CN(C(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)C1
InChIInChI=1S/C28H39N11O2S.C28H40N10O3S.C27H35FN10O2.C27H33N11O3S.C27H37N11O2S.C26H35F3N10O3S.C26H33F2N11O2/c1-33-10-12-34(13-11-33)25(40)19-37-15-20(14-29-37)30-27-31-26-24(4-3-8-38(26)32-27)36-16-21-5-6-22(17-36)39(21)28(41)35-9-7-23(18-35)42-2;1-33-12-14-34(15-13-33)26(39)20-36-17-21(16-29-36)30-28-31-27-25(8-5-11-37(27)32-28)35-18-22-9-10-23(19-35)38(22)42(40,41)24-6-3-2-4-7-24;1-33-7-9-34(10-8-33)24(39)17-36-14-20(13-29-36)30-27-31-25-23(3-2-6-37(25)32-27)35-15-21-4-5-22(16-35)38(21)26(40)18-11-19(28)12-18;1-33-10-12-34(13-11-33)25(39)19-36-16-20(14-29-36)30-27-31-26-24(5-3-9-37(26)32-27)35-17-21-6-7-22(18-35)38(21)42(40,41)23-4-2-8-28-15-23;1-32-8-10-33(11-9-32)24(39)18-36-13-19(12-28-36)29-26-30-25-23(4-3-7-37(25)31-26)34-14-20-5-6-21(15-34)38(20)27(40)35-16-22(17-35)41-2;1-34-9-11-35(12-10-34)23(40)18-37-15-19(14-30-37)31-25-32-24-22(4-2-8-38(24)33-25)36-16-20-5-6-21(17-36)39(20)43(41,42)13-3-7-26(27,28)29;1-33-7-9-34(10-8-33)22(40)15-37-12-18(11-29-37)30-24-31-23-21(3-2-6-38(23)32-24)35-13-19-4-5-20(14-35)39(19)25(41)36-16-26(27,28)17-36/h3-4,8,14-15,21-23H,5-7,9-13,16-19H2,1-2H3,(H,30,32);5,8,11,16-17,22-24H,2-4,6-7,9-10,12-15,18-20H2,1H3,(H,30,32);2-3,6,13-14,18-19,21-22H,4-5,7-12,15-17H2,1H3,(H,30,32);2-5,8-9,14-16,21-22H,6-7,10-13,17-19H2,1H3,(H,30,32);3-4,7,12-13,20-22H,5-6,8-11,14-18H2,1-2H3,(H,29,31);2,4,8,14-15,20-21H,3,5-7,9-13,16-18H2,1H3,(H,31,33);2-3,6,11-12,19-20H,4-5,7-10,13-17H2,1H3,(H,30,32)
InChIKeyALTASZLGMWILBE-UHFFFAOYSA-N
XLogP9.86
TPSA823.80 Ų
H-Bond Donors7
H-Bond Acceptors76
Rotatable Bonds46
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004106.92
LogP ≤ 59.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1076

Analyze 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
The IUPAC name of 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone (CID 157155398) is 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone.
What is the SMILES notation for 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
The canonical SMILES for 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone is CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)C5CC(F)C5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)N5CC(F)(F)C5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)C5CCCCC5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)CCCC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)c5cccnc5)cccn4n3)cn2)CC1.CSC1CCN(C(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)C1.CSC1CN(C(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)C1.
What is the InChIKey of 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
The InChIKey is ALTASZLGMWILBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N11O2S.C28H40N10O3S.C27H35FN10O2.C27H33N11O3S.C27H37N11O2S.C26H35F3N10O3S.C26H33F2N11O2/c1-33-10-12-34(13-11-33)25(40)19-37-15-20(14-29-37)30-27-31-26-24(4-3-8-38(26)32-27)36-16-21-5-6-22(17-36)39(21)28(41)35-9-7-23(18-35)42-2;1-33-12-14-34(15-13-33)26(39)20-36-17-21(16-29-36)30-28-31-27-25(8-5-11-37(27)32-28)35-18-22-9-10-23(19-35)38(22)42(40,41)24-6-3-2-4-7-24;1-33-7-9-34(10-8-33)24(39)17-36-14-20(13-29-36)30-27-31-25-23(3-2-6-37(25)32-27)35-15-21-4-5-22(16-35)38(21)26(40)18-11-19(28)12-18;1-33-10-12-34(13-11-33)25(39)19-36-16-20(14-29-36)30-27-31-26-24(5-3-9-37(26)32-27)35-17-21-6-7-22(18-35)38(21)42(40,41)23-4-2-8-28-15-23;1-32-8-10-33(11-9-32)24(39)18-36-13-19(12-28-36)29-26-30-25-23(4-3-7-37(25)31-26)34-14-20-5-6-21(15-34)38(20)27(40)35-16-22(17-35)41-2;1-34-9-11-35(12-10-34)23(40)18-37-15-19(14-30-37)31-25-32-24-22(4-2-8-38(24)33-25)36-16-20-5-6-21(17-36)39(20)43(41,42)13-3-7-26(27,28)29;1-33-7-9-34(10-8-33)22(40)15-37-12-18(11-29-37)30-24-31-23-21(3-2-6-38(23)32-24)35-13-19-4-5-20(14-35)39(19)25(41)36-16-26(27,28)17-36/h3-4,8,14-15,21-23H,5-7,9-13,16-19H2,1-2H3,(H,30,32);5,8,11,16-17,22-24H,2-4,6-7,9-10,12-15,18-20H2,1H3,(H,30,32);2-3,6,13-14,18-19,21-22H,4-5,7-12,15-17H2,1H3,(H,30,32);2-5,8-9,14-16,21-22H,6-7,10-13,17-19H2,1H3,(H,30,32);3-4,7,12-13,20-22H,5-6,8-11,14-18H2,1-2H3,(H,29,31);2,4,8,14-15,20-21H,3,5-7,9-13,16-18H2,1H3,(H,31,33);2-3,6,11-12,19-20H,4-5,7-10,13-17H2,1H3,(H,30,32).
What are the key properties of 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone has a molecular weight of 4106.92 g/mol, XLogP of 9.86, 46 rotatable bonds, 7 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[8-(8-cyclohexylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3,3-difluoroazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-fluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylazetidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(3-methylsulfanylpyrrolidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-(8-pyridin-3-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone is sourced from PubChem (CID 157155398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).