About 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide (PubChem CID 161353366) has the molecular formula C103H129F2N27O16
and a molecular weight of 2039.33 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide (CID 161353366) is 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide is COC[C@@H](C)Oc1nc(C(=O)N(C)C)cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N2CCC(F)(F)C2)cc(N2CCC(C3=NCc4nccc(OC)c43)CC2)n1.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)N[C@H](C)C(C)(C)O)n4)CC3)c12.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)N[C@H](C)CO)n4)CC3)c12.
What is the InChIKey of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide?
The InChIKey is VOFGRGKFKGOJRE-BCKFFJJESA-N. The full InChI is InChI=1S/C27H34N8O4.C26H32F2N6O4.C25H30N8O4.C25H33N5O4/c1-15(27(2,3)37)31-24(36)23-32-25(34-26(33-23)39-14-18-11-17(18)12-28)35-9-6-16(7-10-35)19-13-30-22-21(19)20(38-4)5-8-29-22;1-16(14-36-2)38-25-31-18(24(35)34-11-7-26(27,28)15-34)12-21(32-25)33-9-5-17(6-10-33)23-22-19(13-30-23)29-8-4-20(22)37-3;1-14(12-34)29-23(35)22-30-24(32-25(31-22)37-13-17-9-16(17)10-26)33-7-4-15(5-8-33)18-11-28-21-20(18)19(36-2)3-6-27-21;1-16(15-32-4)34-25-27-20(24(31)29(2)3)14-22(28-25)30-12-9-17(10-13-30)18-6-7-19-23(18)21(33-5)8-11-26-19/h5,8,13,15-18,37H,6-7,9-11,14H2,1-4H3,(H,29,30)(H,31,36);4,8,12,16-17H,5-7,9-11,13-15H2,1-3H3;3,6,11,14-17,34H,4-5,7-9,12-13H2,1-2H3,(H,27,28)(H,29,35);6,8,11,14,16-17H,7,9-10,12-13,15H2,1-5H3/t15-,17+,18-;16-;14-,16+,17-;16-/m1111/s1.
What are the key properties of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide?
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide has a molecular weight of 2039.33 g/mol, XLogP of 10.20, 34 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3,3-difluoropyrrolidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N,N-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 161353366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).