About (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine
(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 158464095) has the molecular formula C109H117F3N32O5
and a molecular weight of 2012.35 g/mol. Its IUPAC name is (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine.
Frequently Asked Questions
What is the IUPAC name of (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine (CID 158464095) is (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine is CCn1nccc1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1cc(-c2cc(N3CCOC[C@H]3C)nc(-c3cc(F)cc4[nH]ccc34)n2)n(C)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1n[nH]c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?
The InChIKey is HFNPSCXVENTOGO-CHUXGHAJSA-N. The full InChI is InChI=1S/3C22H23FN6O.C22H25N7O.C21H23N7O/c1-13-11-25-28(3)21(13)19-10-20(29-6-7-30-12-14(29)2)27-22(26-19)17-8-15(23)9-18-16(17)4-5-24-18;1-13-8-20(28(3)27-13)19-11-21(29-6-7-30-12-14(29)2)26-22(25-19)17-9-15(23)10-18-16(17)4-5-24-18;1-3-29-20(5-7-25-29)19-12-21(28-8-9-30-13-14(28)2)27-22(26-19)17-10-15(23)11-18-16(17)4-6-24-18;1-13-12-30-10-9-29(13)19-11-18(20-14(2)27-28(4)15(20)3)25-22(26-19)17-6-8-24-21-16(17)5-7-23-21;1-12-11-29-9-8-28(12)18-10-17(19-13(2)26-27-14(19)3)24-21(25-18)16-5-7-23-20-15(16)4-6-22-20/h2*4-5,8-11,14,24H,6-7,12H2,1-3H3;4-7,10-12,14,24H,3,8-9,13H2,1-2H3;5-8,11,13H,9-10,12H2,1-4H3,(H,23,24);4-7,10,12H,8-9,11H2,1-3H3,(H,22,23)(H,26,27)/t3*14-;13-;12-/m11111/s1.
What are the key properties of (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?
(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 2012.35 g/mol, XLogP of 17.78, 16 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158464095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).