(3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione

C226H204F8N42O41 — CID 161425062

IUPAC(3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(CC5CCNCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N(C5=CCN=C5)C5CCN(C)CC5)ccc4o3)CC(=O)NC1=O)C2.O=C1C[C@@](CN2Cc3ccc(O)c(F)c3C2=O)(c2cc3ncccc3o2)C(=O)N1
InChIInChI=1S/C32H26F4N6O6.C31H31FN6O5.C30H27FN6O5.C30H28N6O5.C30H30N6O5.C27H28N4O5.C26H20FN5O5.C20H14FN3O5/c1-47-22-4-2-18-15-42(28(44)26(18)27(22)33)16-31(14-25(43)39-29(31)45)23-13-20-21(48-23)5-3-19(38-20)17-6-7-37-24(12-17)40-8-10-41(11-9-40)30(46)32(34,35)36;1-36-11-8-19(9-12-36)38(20-7-10-33-15-20)25-6-5-22-21(34-25)13-24(43-22)31(14-26(39)35-30(31)41)17-37-16-18-3-4-23(42-2)28(32)27(18)29(37)40;1-41-22-4-2-18-15-37(28(39)26(18)27(22)31)16-30(14-25(38)35-29(30)40)23-13-20-21(42-23)5-3-19(34-20)17-6-7-33-24(12-17)36-10-8-32-9-11-36;1-40-20-3-2-19-16-36(28(38)21(19)13-20)17-30(15-27(37)34-29(30)39)25-14-23-24(41-25)5-4-22(33-23)18-6-7-32-26(12-18)35-10-8-31-9-11-35;1-40-21-8-7-18-16-35(28(38)22(18)11-21)17-30(13-27(37)34-29(30)39)25-12-23-24(41-25)9-10-26(33-23)36(20-14-31-32-15-20)19-5-3-2-4-6-19;1-35-19-4-2-17-14-31(25(33)20(17)11-19)15-27(13-24(32)30-26(27)34)23-12-21-22(36-23)5-3-18(29-21)10-16-6-8-28-9-7-16;1-36-18-5-2-14-11-32(24(34)22(14)23(18)27)12-26(9-21(33)31-25(26)35)19-8-16-17(37-19)6-4-15(30-16)13-3-7-20(28)29-10-13;21-17-12(25)4-3-10-8-24(18(27)16(10)17)9-20(7-15(26)23-19(20)28)14-6-11-13(29-14)2-1-5-22-11/h2-7,12-13H,8-11,14-16H2,1H3,(H,39,43,45);3-7,13,15,19H,8-12,14,16-17H2,1-2H3,(H,35,39,41);2-7,12-13,32H,8-11,14-16H2,1H3,(H,35,38,40);2-7,12-14,31H,8-11,15-17H2,1H3,(H,34,37,39);7-12,14-15,19H,2-6,13,16-17H2,1H3,(H,31,32)(H,34,37,39);2-5,11-12,16,28H,6-10,13-15H2,1H3,(H,30,32,34);2-8,10H,9,11-12H2,1H3,(H2,28,29)(H,31,33,35);1-6,25H,7-9H2,(H,23,26,28)/t2*31-;3*30-;27-;26-;20-/m11111111/s1
InChIKeyVXGBNZSPZOFISB-YXLVJRKVSA-N
MW4316.35 g/mol
LogP21.07
Rot. Bonds46

About (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione

(3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 161425062) has the molecular formula C226H204F8N42O41 and a molecular weight of 4316.35 g/mol. Its IUPAC name is (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID161425062
Molecular FormulaC226H204F8N42O41
Molecular Weight4316.35 g/mol
Exact Mass4313.50
IUPAC Name(3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(CC5CCNCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N(C5=CCN=C5)C5CCN(C)CC5)ccc4o3)CC(=O)NC1=O)C2.O=C1C[C@@](CN2Cc3ccc(O)c(F)c3C2=O)(c2cc3ncccc3o2)C(=O)N1
InChIInChI=1S/C32H26F4N6O6.C31H31FN6O5.C30H27FN6O5.C30H28N6O5.C30H30N6O5.C27H28N4O5.C26H20FN5O5.C20H14FN3O5/c1-47-22-4-2-18-15-42(28(44)26(18)27(22)33)16-31(14-25(43)39-29(31)45)23-13-20-21(48-23)5-3-19(38-20)17-6-7-37-24(12-17)40-8-10-41(11-9-40)30(46)32(34,35)36;1-36-11-8-19(9-12-36)38(20-7-10-33-15-20)25-6-5-22-21(34-25)13-24(43-22)31(14-26(39)35-30(31)41)17-37-16-18-3-4-23(42-2)28(32)27(18)29(37)40;1-41-22-4-2-18-15-37(28(39)26(18)27(22)31)16-30(14-25(38)35-29(30)40)23-13-20-21(42-23)5-3-19(34-20)17-6-7-33-24(12-17)36-10-8-32-9-11-36;1-40-20-3-2-19-16-36(28(38)21(19)13-20)17-30(15-27(37)34-29(30)39)25-14-23-24(41-25)5-4-22(33-23)18-6-7-32-26(12-18)35-10-8-31-9-11-35;1-40-21-8-7-18-16-35(28(38)22(18)11-21)17-30(13-27(37)34-29(30)39)25-12-23-24(41-25)9-10-26(33-23)36(20-14-31-32-15-20)19-5-3-2-4-6-19;1-35-19-4-2-17-14-31(25(33)20(17)11-19)15-27(13-24(32)30-26(27)34)23-12-21-22(36-23)5-3-18(29-21)10-16-6-8-28-9-7-16;1-36-18-5-2-14-11-32(24(34)22(14)23(18)27)12-26(9-21(33)31-25(26)35)19-8-16-17(37-19)6-4-15(30-16)13-3-7-20(28)29-10-13;21-17-12(25)4-3-10-8-24(18(27)16(10)17)9-20(7-15(26)23-19(20)28)14-6-11-13(29-14)2-1-5-22-11/h2-7,12-13H,8-11,14-16H2,1H3,(H,39,43,45);3-7,13,15,19H,8-12,14,16-17H2,1-2H3,(H,35,39,41);2-7,12-13,32H,8-11,14-16H2,1H3,(H,35,38,40);2-7,12-14,31H,8-11,15-17H2,1H3,(H,34,37,39);7-12,14-15,19H,2-6,13,16-17H2,1H3,(H,31,32)(H,34,37,39);2-5,11-12,16,28H,6-10,13-15H2,1H3,(H,30,32,34);2-8,10H,9,11-12H2,1H3,(H2,28,29)(H,31,33,35);1-6,25H,7-9H2,(H,23,26,28)/t2*31-;3*30-;27-;26-;20-/m11111111/s1
InChIKeyVXGBNZSPZOFISB-YXLVJRKVSA-N
XLogP21.07
TPSA1019.38 Ų
H-Bond Donors14
H-Bond Acceptors65
Rotatable Bonds46
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004316.35
LogP ≤ 521.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1065

Analyze (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione with MolForge

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What is the IUPAC name of (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 161425062) is (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(CC5CCNCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N(C5=CCN=C5)C5CCN(C)CC5)ccc4o3)CC(=O)NC1=O)C2.O=C1C[C@@](CN2Cc3ccc(O)c(F)c3C2=O)(c2cc3ncccc3o2)C(=O)N1.
What is the InChIKey of (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is VXGBNZSPZOFISB-YXLVJRKVSA-N. The full InChI is InChI=1S/C32H26F4N6O6.C31H31FN6O5.C30H27FN6O5.C30H28N6O5.C30H30N6O5.C27H28N4O5.C26H20FN5O5.C20H14FN3O5/c1-47-22-4-2-18-15-42(28(44)26(18)27(22)33)16-31(14-25(43)39-29(31)45)23-13-20-21(48-23)5-3-19(38-20)17-6-7-37-24(12-17)40-8-10-41(11-9-40)30(46)32(34,35)36;1-36-11-8-19(9-12-36)38(20-7-10-33-15-20)25-6-5-22-21(34-25)13-24(43-22)31(14-26(39)35-30(31)41)17-37-16-18-3-4-23(42-2)28(32)27(18)29(37)40;1-41-22-4-2-18-15-37(28(39)26(18)27(22)31)16-30(14-25(38)35-29(30)40)23-13-20-21(42-23)5-3-19(34-20)17-6-7-33-24(12-17)36-10-8-32-9-11-36;1-40-20-3-2-19-16-36(28(38)21(19)13-20)17-30(15-27(37)34-29(30)39)25-14-23-24(41-25)5-4-22(33-23)18-6-7-32-26(12-18)35-10-8-31-9-11-35;1-40-21-8-7-18-16-35(28(38)22(18)11-21)17-30(13-27(37)34-29(30)39)25-12-23-24(41-25)9-10-26(33-23)36(20-14-31-32-15-20)19-5-3-2-4-6-19;1-35-19-4-2-17-14-31(25(33)20(17)11-19)15-27(13-24(32)30-26(27)34)23-12-21-22(36-23)5-3-18(29-21)10-16-6-8-28-9-7-16;1-36-18-5-2-14-11-32(24(34)22(14)23(18)27)12-26(9-21(33)31-25(26)35)19-8-16-17(37-19)6-4-15(30-16)13-3-7-20(28)29-10-13;21-17-12(25)4-3-10-8-24(18(27)16(10)17)9-20(7-15(26)23-19(20)28)14-6-11-13(29-14)2-1-5-22-11/h2-7,12-13H,8-11,14-16H2,1H3,(H,39,43,45);3-7,13,15,19H,8-12,14,16-17H2,1-2H3,(H,35,39,41);2-7,12-13,32H,8-11,14-16H2,1H3,(H,35,38,40);2-7,12-14,31H,8-11,15-17H2,1H3,(H,34,37,39);7-12,14-15,19H,2-6,13,16-17H2,1H3,(H,31,32)(H,34,37,39);2-5,11-12,16,28H,6-10,13-15H2,1H3,(H,30,32,34);2-8,10H,9,11-12H2,1H3,(H2,28,29)(H,31,33,35);1-6,25H,7-9H2,(H,23,26,28)/t2*31-;3*30-;27-;26-;20-/m11111111/s1.
What are the key properties of (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
(3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 4316.35 g/mol, XLogP of 21.07, 46 rotatable bonds, 14 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(piperidin-4-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 161425062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).