About tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 158314680) has the molecular formula C155H157F3N36O10
and a molecular weight of 2741.20 g/mol. Its IUPAC name is tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 158314680) is tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc5c4OC(F)(F)C5)cc3c2)c1C.Cc1cc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cnc1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)n1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(F)n1.Cc1nn(C2CCC2)cc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.Cc1nn(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.
What is the InChIKey of tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is GOCRGRWKNMXEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3.C23H24N4O.C22H18F2N4O2.C22H24N6O.2C21H21N5O.C20H18FN5O/c1-14-15(2)29-30-23(14)22(34)8-17-7-18-9-21(28-24(18)27-10-17)20-13-33(31-16(20)3)19-11-32(12-19)25(35)36-26(4,5)6;1-12-6-7-19(14(3)13(12)2)20-10-18-8-17(11-24-23(18)25-20)9-21(28)22-15(4)16(5)26-27-22;1-11-12(2)27-28-19(11)18(29)7-13-6-15-8-17(26-21(15)25-10-13)16-5-3-4-14-9-22(23,24)30-20(14)16;1-12-13(2)25-26-21(12)20(29)8-15-7-16-9-19(24-22(16)23-10-15)18-11-28(27-14(18)3)17-5-4-6-17;1-11-5-17(10-22-13(11)3)18-8-16-6-15(9-23-21(16)24-18)7-19(27)20-12(2)14(4)25-26-20;1-11-5-6-17(14(4)23-11)18-9-16-7-15(10-22-21(16)24-18)8-19(27)20-12(2)13(3)25-26-20;1-10-4-5-15(19(21)23-10)16-8-14-6-13(9-22-20(14)24-16)7-17(27)18-11(2)12(3)25-26-18/h7,9-10,13,19H,8,11-12H2,1-6H3,(H,27,28)(H,29,30);6-8,10-11H,9H2,1-5H3,(H,24,25)(H,26,27);3-6,8,10H,7,9H2,1-2H3,(H,25,26)(H,27,28);7,9-11,17H,4-6,8H2,1-3H3,(H,23,24)(H,25,26);5-6,8-10H,7H2,1-4H3,(H,23,24)(H,25,26);5-7,9-10H,8H2,1-4H3,(H,22,24)(H,25,26);4-6,8-9H,7H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 2741.20 g/mol, XLogP of 29.81, 30 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazol-1-yl]azetidine-1-carboxylate;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-3H-1-benzofuran-7-yl)-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-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 158314680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).