About 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 157396248) has the molecular formula C152H141BBr4F23N21O19
and a molecular weight of 3333.31 g/mol. Its IUPAC name is 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Frequently Asked Questions
What is the IUPAC name of 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 157396248) is 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1F.CC(C)(C)OC(=O)N1C(=O)NCC1c1ccc(F)cc1F.CC(C)(C)OC(=O)NC(CC(=O)O)c1ccc(F)cc1F.CN1C(=O)N(c2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c(F)c2)CC1c1ccc(F)cc1F.CN1C(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1c1ccc(F)cc1F.CN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1F.NC(CC(=O)O)c1ccc(F)cc1F.Nc1ncnc2c1c(Br)cn2C1CC1.O=C1CC(c2ccc(F)cc2F)CN1c1ccc(Br)c(F)c1.O=Cc1ccc(F)cc1F.
What is the InChIKey of 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is BMPHTGNSNWJCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O.C22H24BF3N2O3.C20H18BrF3N2O3.C16H12BrF3N2O.C16H11BrF3NO.C14H16F2N2O3.C14H17F2NO4.C9H9BrN4.C9H9F2NO2.C7H4F2O/c1-32-21(17-6-2-13(26)8-19(17)27)11-34(25(32)35)15-5-7-16(20(28)9-15)18-10-33(14-3-4-14)24-22(18)23(29)30-12-31-24;1-21(2)22(3,4)31-23(30-21)16-9-7-14(11-18(16)26)28-12-19(27(5)20(28)29)15-8-6-13(24)10-17(15)25;1-20(2,3)29-19(28)26-17(13-6-4-11(22)8-15(13)23)10-25(18(26)27)12-5-7-14(21)16(24)9-12;1-21-15(11-4-2-9(18)6-13(11)19)8-22(16(21)23)10-3-5-12(17)14(20)7-10;17-13-4-2-11(7-15(13)20)21-8-9(5-16(21)22)12-3-1-10(18)6-14(12)19;1-14(2,3)21-13(20)18-11(7-17-12(18)19)9-5-4-8(15)6-10(9)16;1-14(2,3)21-13(20)17-11(7-12(18)19)9-5-4-8(15)6-10(9)16;10-6-3-14(5-1-2-5)9-7(6)8(11)12-4-13-9;10-5-1-2-6(7(11)3-5)8(12)4-9(13)14;8-6-2-1-5(4-10)7(9)3-6/h2,5-10,12,14,21H,3-4,11H2,1H3,(H2,29,30,31);6-11,19H,12H2,1-5H3;4-9,17H,10H2,1-3H3;2-7,15H,8H2,1H3;1-4,6-7,9H,5,8H2;4-6,11H,7H2,1-3H3,(H,17,19);4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19);3-5H,1-2H2,(H2,11,12,13);1-3,8H,4,12H2,(H,13,14);1-4H.
What are the key properties of 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 3333.31 g/mol, XLogP of 35.01, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;3-amino-3-(2,4-difluorophenyl)propanoic acid;5-bromo-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)pyrrolidin-2-one;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;tert-butyl 5-(2,4-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;2,4-difluorobenzaldehyde;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 157396248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).