About 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (PubChem CID 159293726) has the molecular formula C142H144ClF2N35O10S
and a molecular weight of 2606.46 g/mol. Its IUPAC name is 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.
Frequently Asked Questions
What is the IUPAC name of 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The IUPAC name of 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (CID 159293726) is 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is C=S(C)(=O)Nc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cc1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cc(OC(C)(F)F)ccc4Cl)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(N5CCN(C(=O)C6CC6)CC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-n4cccn4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(N4CCCC4)cc3c2)c1C.Cc1cc2ncc(CC(=O)c3n[nH]c(C)c3C)cn2n1.Cc1ccc(-c2cc3cc(CC(=O)c4cc(C)n(C)n4)cnc3[nH]2)cc1.
What is the InChIKey of 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The InChIKey is LALJFMCOXHRFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2.C22H19ClF2N4O2.C22H23N5O2S.C21H20N4O.C18H21N5O.C17H16N6O.C14H15N5O/c1-17-18(2)31-32-26(17)25(35)13-19-12-22-15-24(30-27(22)29-16-19)21-4-3-5-23(14-21)33-8-10-34(11-9-33)28(36)20-6-7-20;1-11-12(2)28-29-20(11)19(30)7-13-6-14-8-18(27-21(14)26-10-13)16-9-15(4-5-17(16)23)31-22(3,24)25;1-13-14(2)25-26-21(13)20(28)10-15-9-17-11-19(24-22(17)23-12-15)16-5-7-18(8-6-16)27-30(3,4)29;1-13-4-6-16(7-5-13)18-11-17-9-15(12-22-21(17)23-18)10-20(26)19-8-14(2)25(3)24-19;1-11-12(2)21-22-17(11)15(24)8-13-7-14-9-16(20-18(14)19-10-13)23-5-3-4-6-23;1-10-11(2)21-22-16(10)14(24)7-12-6-13-8-15(20-17(13)18-9-12)23-5-3-4-19-23;1-8-4-13-15-6-11(7-19(13)18-8)5-12(20)14-9(2)10(3)16-17-14/h3-5,12,14-16,20H,6-11,13H2,1-2H3,(H,29,30)(H,31,32);4-6,8-10H,7H2,1-3H3,(H,26,27)(H,28,29);5-9,11-12H,3,10H2,1-2,4H3,(H,23,24)(H,25,26)(H,27,29);4-9,11-12H,10H2,1-3H3,(H,22,23);7,9-10H,3-6,8H2,1-2H3,(H,19,20)(H,21,22);3-6,8-9H,7H2,1-2H3,(H,18,20)(H,21,22);4,6-7H,5H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone has a molecular weight of 2606.46 g/mol, XLogP of 24.61, 33 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-5-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(1,5-dimethylpyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 159293726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).