About 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol
3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol (PubChem CID 158704397) has the molecular formula C133H147Br2F8IN24O7
and a molecular weight of 2634.51 g/mol. Its IUPAC name is 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol.
Frequently Asked Questions
What is the IUPAC name of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol (CID 158704397) is 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol is Cc1noc(C)c1-c1cnc2c(-c3cnn(C(F)F)c3)cn(CC3(F)CCC(C)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn(C(CC#N)C3CCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(Br)cn(C(CC#N)C3CCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(Br)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(C#CCO)cn(CC3CCC(C)(F)CC3)c2c1.[2H]C([2H])(C1CCC(C)(F)CC1)n1cc(I)c2ncc(-c3c(C)noc3C)cc21.
What is the InChIKey of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
The InChIKey is IHYACHHEXVEUFR-XSDUKVEASA-N. The full InChI is InChI=1S/C26H28F2N6O.C24H26F3N5O.C23H26FN3O2.C20H23BrFN3O.C20H21BrN4O.C20H23FIN3O/c1-16-24(17(2)35-32-16)19-10-23-25(30-11-19)21(20-12-31-33(13-20)15-26(3,27)28)14-34(23)22(8-9-29)18-6-4-5-7-18;1-14-4-6-24(27,7-5-14)13-31-12-19(18-10-29-32(11-18)23(25)26)22-20(31)8-17(9-28-22)21-15(2)30-33-16(21)3;1-15-21(16(2)29-26-15)19-11-20-22(25-12-19)18(5-4-10-28)14-27(20)13-17-6-8-23(3,24)9-7-17;1-12-18(13(2)26-24-12)15-8-17-19(23-9-15)16(21)11-25(17)10-14-4-6-20(3,22)7-5-14;1-12-19(13(2)26-24-12)15-9-18-20(23-10-15)16(21)11-25(18)17(7-8-22)14-5-3-4-6-14;1-12-18(13(2)26-24-12)15-8-17-19(23-9-15)16(22)11-25(17)10-14-4-6-20(3,21)7-5-14/h10-14,18,22H,4-8,15H2,1-3H3;8-12,14,23H,4-7,13H2,1-3H3;11-12,14,17,28H,6-10,13H2,1-3H3;8-9,11,14H,4-7,10H2,1-3H3;9-11,14,17H,3-7H2,1-2H3;8-9,11,14H,4-7,10H2,1-3H3/i;;;;;10D2.
What are the key properties of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol has a molecular weight of 2634.51 g/mol, XLogP of 35.06, 25 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopentylpropanenitrile;4-[3-bromo-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-cyclopentyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-iodopyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(1-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 158704397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).