2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one

C139H181F6N51O13S4 — CID 158494654

About 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one

2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one (PubChem CID 158494654) has the molecular formula C139H181F6N51O13S4 and a molecular weight of 3016.58 g/mol. Its IUPAC name is 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one.

Molecular Properties

• Compound Name: 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one
• PubChem CID: 158494654
• Molecular Formula: C139H181F6N51O13S4
• Molecular Weight: 3016.58 g/mol
• Exact Mass: 3014.39
• IUPAC Name: 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one
• SMILES: CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(N4CC5CCCC(C4)N5C(=O)CCC(F)(F)F)cccn3n2)cn1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)NCC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6CC5(CS(C)(=O)=O)CC5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)Cc5ccccc5)cccn4n3)cn2)CC1.CSc1ccc(S(=O)(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)cc1
• InChI: InChI=1S/C29H36N10O3S2.C29H36N10O3S.C28H37F3N10O2.C28H40N10O3S.C25H32F3N11O2/c1-34-12-14-35(15-13-34)27(40)20-37-17-21(16-30-37)31-29-32-28-26(4-3-11-38(28)33-29)36-18-22-5-6-23(19-36)39(22)44(41,42)25-9-7-24(43-2)8-10-25;1-34-12-14-35(15-13-34)27(40)20-37-17-23(16-30-37)31-29-32-28-26(8-5-11-38(28)33-29)36-18-24-9-10-25(19-36)39(24)43(41,42)21-22-6-3-2-4-7-22;1-19(26(43)37-13-11-36(2)12-14-37)40-16-20(15-32-40)33-27-34-25-23(7-4-10-39(25)35-27)38-17-21-5-3-6-22(18-38)41(21)24(42)8-9-28(29,30)31;1-33-10-12-34(13-11-33)25(39)18-36-15-21(14-29-36)30-27-31-26-24(4-3-9-38(26)32-27)35-16-22-5-6-23(17-35)37(22)19-28(7-8-28)20-42(2,40)41;1-34-7-9-35(10-8-34)21(40)15-37-12-17(11-30-37)31-23-32-22-20(3-2-6-38(22)33-23)36-13-18-4-5-19(14-36)39(18)24(41)29-16-25(26,27)28/h3-4,7-11,16-17,22-23H,5-6,12-15,18-20H2,1-2H3,(H,31,33);2-8,11,16-17,24-25H,9-10,12-15,18-21H2,1H3,(H,31,33);4,7,10,15-16,19,21-22H,3,5-6,8-9,11-14,17-18H2,1-2H3,(H,33,35);3-4,9,14-15,22-23H,5-8,10-13,16-20H2,1-2H3,(H,30,32);2-3,6,11-12,18-19H,4-5,7-10,13-16H2,1H3,(H,29,41)(H,31,33)
• InChIKey: HJCYNLVDNIQDNT-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 598.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 55
• Rotatable Bonds: 38
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3016.58
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one?

The IUPAC name of 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one (CID 158494654) is 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one.

What is the SMILES notation for 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one?

The canonical SMILES for 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one is CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(N4CC5CCCC(C4)N5C(=O)CCC(F)(F)F)cccn3n2)cn1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)NCC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6CC5(CS(C)(=O)=O)CC5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6S(=O)(=O)Cc5ccccc5)cccn4n3)cn2)CC1.CSc1ccc(S(=O)(=O)N2C3CCC2CN(c2cccn4nc(Nc5cnn(CC(=O)N6CCN(C)CC6)c5)nc24)C3)cc1.

What is the InChIKey of 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one?

The InChIKey is HJCYNLVDNIQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N10O3S2.C29H36N10O3S.C28H37F3N10O2.C28H40N10O3S.C25H32F3N11O2/c1-34-12-14-35(15-13-34)27(40)20-37-17-21(16-30-37)31-29-32-28-26(4-3-11-38(28)33-29)36-18-22-5-6-23(19-36)39(22)44(41,42)25-9-7-24(43-2)8-10-25;1-34-12-14-35(15-13-34)27(40)20-37-17-23(16-30-37)31-29-32-28-26(8-5-11-38(28)33-29)36-18-24-9-10-25(19-36)39(24)43(41,42)21-22-6-3-2-4-7-22;1-19(26(43)37-13-11-36(2)12-14-37)40-16-20(15-32-40)33-27-34-25-23(7-4-10-39(25)35-27)38-17-21-5-3-6-22(18-38)41(21)24(42)8-9-28(29,30)31;1-33-10-12-34(13-11-33)25(39)18-36-15-21(14-29-36)30-27-31-26-24(4-3-9-38(26)32-27)35-16-22-5-6-23(17-35)37(22)19-28(7-8-28)20-42(2,40)41;1-34-7-9-35(10-8-34)21(40)15-37-12-17(11-30-37)31-23-32-22-20(3-2-6-38(22)33-23)36-13-18-4-5-19(14-36)39(18)24(41)29-16-25(26,27)28/h3-4,7-11,16-17,22-23H,5-6,12-15,18-20H2,1-2H3,(H,31,33);2-8,11,16-17,24-25H,9-10,12-15,18-21H2,1H3,(H,31,33);4,7,10,15-16,19,21-22H,3,5-6,8-9,11-14,17-18H2,1-2H3,(H,33,35);3-4,9,14-15,22-23H,5-8,10-13,16-20H2,1-2H3,(H,30,32);2-3,6,11-12,18-19H,4-5,7-10,13-16H2,1H3,(H,29,41)(H,31,33).

What are the key properties of 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one?

2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one has a molecular weight of 3016.58 g/mol, XLogP of 9.04, 38 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[8-(8-benzylsulfonyl-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-(4-methylsulfanylphenyl)sulfonyl-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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;4,4,4-trifluoro-1-[3-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]butan-1-one is sourced from PubChem (CID 158494654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).