About (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
(3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 167598752) has the molecular formula C94H108F5N29O4
and a molecular weight of 1803.09 g/mol. Its IUPAC name is (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
Frequently Asked Questions
What is the IUPAC name of (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 167598752) is (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)c(C(F)(F)F)nn1C.Cc1nn(C)c(C)c1-c1nc(-c2ccnc(C(F)F)c2)cc(N2CCOC[C@H]2C)n1.Cc1nn(C2CCNCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CNC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is JKZWYWOCFXJMKJ-FGPUKFFSSA-N. The full InChI is InChI=1S/C26H32N8O.C25H30N8O.C22H22F3N7O.C21H24F2N6O/c1-16-15-35-13-12-33(16)23-14-22(24-17(2)32-34(18(24)3)19-4-8-27-9-5-19)30-26(31-23)21-7-11-29-25-20(21)6-10-28-25;1-15-14-34-9-8-32(15)22-10-21(23-16(2)31-33(17(23)3)13-18-11-26-12-18)29-25(30-22)20-5-7-28-24-19(20)4-6-27-24;1-12-11-33-9-8-32(12)17-10-16(18-13(2)31(3)30-19(18)22(23,24)25)28-21(29-17)15-5-7-27-20-14(15)4-6-26-20;1-12-11-30-8-7-29(12)18-10-16(15-5-6-24-17(9-15)20(22)23)25-21(26-18)19-13(2)27-28(4)14(19)3/h6-7,10-11,14,16,19,27H,4-5,8-9,12-13,15H2,1-3H3,(H,28,29);4-7,10,15,18,26H,8-9,11-14H2,1-3H3,(H,27,28);4-7,10,12H,8-9,11H2,1-3H3,(H,26,27);5-6,9-10,12,20H,7-8,11H2,1-4H3/t16-;15-;2*12-/m1111/s1.
What are the key properties of (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 1803.09 g/mol, XLogP of 14.29, 16 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 167598752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).