About 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (PubChem CID 158653200) has the molecular formula C124H133F4N31O9
and a molecular weight of 2285.68 g/mol. Its IUPAC name is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.
Frequently Asked Questions
What is the IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (CID 158653200) is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(C3CCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CC3CCNCC3)c2cn1.CC(C)(O)Cn1cc(-c2ccnc(N)n2)c2cc(C#CC(C)(O)C(F)(F)F)ncc21.COCCn1cc(-c2ccnc(N)n2)c2cc(C#CC(C)(O)C3CCNCC3)ncc21.Cc1cnc(N)nc1C1=CCc2cnc(C#CC(C)(C)O)cc21.[2H]C([2H])([2H])C(O)(C#Cc1cc2c(-c3nc(N)ncc3F)cn(C3COC3)c2cn1)C1([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is IBUPEFREZNGVHX-MXIMTUGBSA-N. The full InChI is InChI=1S/C23H28N6O2.C22H26N6O.C21H20FN5O2.C20H20F3N5O2.C20H21N5O.C18H18N4O/c1-23(30,16-4-8-25-9-5-16)7-3-17-13-18-19(20-6-10-26-22(24)28-20)15-29(11-12-31-2)21(18)14-27-17;1-22(2,29)7-3-16-11-17-18(19-6-10-25-21(23)27-19)14-28(20(17)12-26-16)13-15-4-8-24-9-5-15;1-21(28,12-2-3-12)5-4-13-6-15-16(19-17(22)7-25-20(23)26-19)9-27(14-10-29-11-14)18(15)8-24-13;1-18(2,29)11-28-10-14(15-5-7-25-17(24)27-15)13-8-12(26-9-16(13)28)4-6-19(3,30)20(21,22)23;1-20(2,26)8-6-13-10-15-16(17-7-9-22-19(21)24-17)12-25(14-4-3-5-14)18(15)11-23-13;1-11-9-21-17(19)22-16(11)14-5-4-12-10-20-13(8-15(12)14)6-7-18(2,3)23/h6,10,13-16,25,30H,4-5,8-9,11-12H2,1-2H3,(H2,24,26,28);6,10-12,14-15,24,29H,4-5,8-9,13H2,1-2H3,(H2,23,25,27);6-9,12,14,28H,2-3,10-11H2,1H3,(H2,23,25,26);5,7-10,29-30H,11H2,1-3H3,(H2,24,25,27);7,9-12,14,26H,3-5H2,1-2H3,(H2,21,22,24);5,8-10,23H,4H2,1-3H3,(H2,19,21,22)/i;;1D3,2D2,3D2,12D;;;.
What are the key properties of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 2285.68 g/mol, XLogP of 13.63, 18 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 158653200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).