About tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate
tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate (PubChem CID 158650633) has the molecular formula C164H190B2ClF6IN28O25
and a molecular weight of 3251.46 g/mol. Its IUPAC name is tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate?
The IUPAC name of tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate (CID 158650633) is tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate.
What is the SMILES notation for tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate?
The canonical SMILES for tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate is C.C.CC(C)(C)OC(=O)Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1.CC(C)(C)OC(=O)Cc1cnc2[nH]c(B(O)O)cc2c1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc2c(ccn2C(=O)OC(C)(C)C)c1.CC(C)OB(OC(C)C)OC(C)C.CC(C)OC(=O)Cl.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3c(c2)cc(-c2ccc(F)cc2)n3C(=O)OC(C)C)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1[nH]nc(C(=O)O)c1C.Fc1ccc(I)cc1.Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1.Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1.Nc1cnc2[nH]ccc2c1.
What is the InChIKey of tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate?
The InChIKey is IBMWNSFNXQZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3.C22H31N3O6.C20H17FN4O.C19H19FN2O2.C13H17BN2O4.2C13H10FN3.C9H21BO3.C7H7N3.C6H4FI.2C6H8N2O2.C4H7ClO2.2CH4/c1-13(2)32-24(31)29-20(17-5-7-19(25)8-6-17)11-18-9-16(12-26-23(18)29)10-21(30)22-14(3)15(4)27-28-22;1-20(2,3)29-17(26)24-11-10-14-12-15(13-23-16(14)24)25(18(27)30-21(4,5)6)19(28)31-22(7,8)9;1-11-12(2)24-25-19(11)18(26)8-13-7-15-9-17(23-20(15)22-10-13)14-3-5-16(21)6-4-14;1-19(2,3)24-17(23)9-12-8-14-10-16(22-18(14)21-11-12)13-4-6-15(20)7-5-13;1-13(2,3)20-11(17)5-8-4-9-6-10(14(18)19)16-12(9)15-7-8;2*14-10-3-1-8(2-4-10)12-6-9-5-11(15)7-16-13(9)17-12;1-7(2)11-10(12-8(3)4)13-9(5)6;8-6-3-5-1-2-9-7(5)10-4-6;7-5-1-3-6(8)4-2-5;2*1-3-4(2)7-8-5(3)6(9)10;1-3(2)7-4(5)6;;/h5-9,11-13H,10H2,1-4H3,(H,27,28);10-13H,1-9H3;3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25);4-8,10-11H,9H2,1-3H3,(H,21,22);4,6-7,18-19H,5H2,1-3H3,(H,15,16);2*1-7H,15H2,(H,16,17);7-9H,1-6H3;1-4H,8H2,(H,9,10);1-4H;2*1-2H3,(H,7,8)(H,9,10);3H,1-2H3;2*1H4.
What are the key properties of tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate?
tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate has a molecular weight of 3251.46 g/mol, XLogP of 35.23, 27 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-fluoro-4-iodobenzene;bis(2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine);methane;[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]boronic acid;propan-2-yl carbonochloridate;propan-2-yl 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-amine;tripropan-2-yl borate is sourced from PubChem (CID 158650633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).