(3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide

C205H187F4N31O42S4 — CID 159136223

IUPAC(3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide
SMILESC.C.C.CCN1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.CN(C)C1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(S(N)(=O)=O)cc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(-c5cccc(C#N)c5)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(cc4o3)C(=O)CCC5)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(cc4o3)C(=O)CCCC5)CC(=O)NC1=O)C2.O=C1C[C@@](CN2Cc3ccc(OCC4CC4)c(F)c3C2=O)(c2cc3cc4c(c(F)c3o2)C(=O)CC4)C(=O)N1.O=C1NC(=O)[C@](CN2CCc3ccsc3C2=O)(c2cc3ncccc3o2)N1
InChIInChI=1S/C28H22F2N2O6.C27H23FN2O6.C27H19N5O5.C27H22N4O7S.C26H21FN2O6.C25H28N6O4S.C24H26N6O4S.C18H14N4O4S.3CH4/c29-23-18(37-11-13-1-2-13)6-4-15-10-32(26(35)22(15)23)12-28(9-20(34)31-27(28)36)19-8-16-7-14-3-5-17(33)21(14)24(30)25(16)38-19;1-35-19-7-6-15-12-30(25(33)23(15)24(19)28)13-27(11-22(32)29-26(27)34)21-9-16-8-14-4-2-3-5-18(31)17(14)10-20(16)36-21;1-36-19-6-5-17-13-32(24(33)20(17)9-19)14-27(25(34)30-26(35)31-27)23-10-21-22(37-23)8-18(12-29-21)16-4-2-3-15(7-16)11-28;1-37-17-5-2-16-13-31(25(33)19(16)10-17)14-27(12-24(32)30-26(27)34)23-11-21-22(38-23)9-8-20(29-21)15-3-6-18(7-4-15)39(28,35)36;1-34-18-6-5-14-11-29(24(32)22(14)23(18)27)12-26(10-21(31)28-25(26)33)20-8-15-7-13-3-2-4-17(30)16(13)9-19(15)35-20;1-29(2)16-6-10-30(11-7-16)20-4-3-18-17(26-20)13-19(35-18)25(23(33)27-24(34)28-25)14-31-9-5-15-8-12-36-21(15)22(31)32;1-2-28-8-10-29(11-9-28)19-4-3-17-16(25-19)13-18(34-17)24(22(32)26-23(33)27-24)14-30-7-5-15-6-12-35-20(15)21(30)31;23-15-14-10(4-7-27-14)3-6-22(15)9-18(16(24)20-17(25)21-18)13-8-11-12(26-13)2-1-5-19-11;;;/h4,6-8,13H,1-3,5,9-12H2,(H,31,34,36);6-10H,2-5,11-13H2,1H3,(H,29,32,34);2-10,12H,13-14H2,1H3,(H2,30,31,34,35);2-11H,12-14H2,1H3,(H2,28,35,36)(H,30,32,34);5-9H,2-4,10-12H2,1H3,(H,28,31,33);3-4,8,12-13,16H,5-7,9-11,14H2,1-2H3,(H2,27,28,33,34);3-4,6,12-13H,2,5,7-11,14H2,1H3,(H2,26,27,32,33);1-2,4-5,7-8H,3,6,9H2,(H2,20,21,24,25);3*1H4/t28-;3*27-;26-;25-;24-;18-;;;/m11011000.../s1
InChIKeyKHNIVBNPWDETEE-MPIJOTANSA-N
MW3961.19 g/mol
LogP22.64
Rot. Bonds38

About (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide

(3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide (PubChem CID 159136223) has the molecular formula C205H187F4N31O42S4 and a molecular weight of 3961.19 g/mol. Its IUPAC name is (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name(3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide
PubChem CID159136223
Molecular FormulaC205H187F4N31O42S4
Molecular Weight3961.19 g/mol
Exact Mass3958.23
IUPAC Name(3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide
SMILESC.C.C.CCN1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.CN(C)C1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(S(N)(=O)=O)cc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(-c5cccc(C#N)c5)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(cc4o3)C(=O)CCC5)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(cc4o3)C(=O)CCCC5)CC(=O)NC1=O)C2.O=C1C[C@@](CN2Cc3ccc(OCC4CC4)c(F)c3C2=O)(c2cc3cc4c(c(F)c3o2)C(=O)CC4)C(=O)N1.O=C1NC(=O)[C@](CN2CCc3ccsc3C2=O)(c2cc3ncccc3o2)N1
InChIInChI=1S/C28H22F2N2O6.C27H23FN2O6.C27H19N5O5.C27H22N4O7S.C26H21FN2O6.C25H28N6O4S.C24H26N6O4S.C18H14N4O4S.3CH4/c29-23-18(37-11-13-1-2-13)6-4-15-10-32(26(35)22(15)23)12-28(9-20(34)31-27(28)36)19-8-16-7-14-3-5-17(33)21(14)24(30)25(16)38-19;1-35-19-7-6-15-12-30(25(33)23(15)24(19)28)13-27(11-22(32)29-26(27)34)21-9-16-8-14-4-2-3-5-18(31)17(14)10-20(16)36-21;1-36-19-6-5-17-13-32(24(33)20(17)9-19)14-27(25(34)30-26(35)31-27)23-10-21-22(37-23)8-18(12-29-21)16-4-2-3-15(7-16)11-28;1-37-17-5-2-16-13-31(25(33)19(16)10-17)14-27(12-24(32)30-26(27)34)23-11-21-22(38-23)9-8-20(29-21)15-3-6-18(7-4-15)39(28,35)36;1-34-18-6-5-14-11-29(24(32)22(14)23(18)27)12-26(10-21(31)28-25(26)33)20-8-15-7-13-3-2-4-17(30)16(13)9-19(15)35-20;1-29(2)16-6-10-30(11-7-16)20-4-3-18-17(26-20)13-19(35-18)25(23(33)27-24(34)28-25)14-31-9-5-15-8-12-36-21(15)22(31)32;1-2-28-8-10-29(11-9-28)19-4-3-17-16(25-19)13-18(34-17)24(22(32)26-23(33)27-24)14-30-7-5-15-6-12-35-20(15)21(30)31;23-15-14-10(4-7-27-14)3-6-22(15)9-18(16(24)20-17(25)21-18)13-8-11-12(26-13)2-1-5-19-11;;;/h4,6-8,13H,1-3,5,9-12H2,(H,31,34,36);6-10H,2-5,11-13H2,1H3,(H,29,32,34);2-10,12H,13-14H2,1H3,(H2,30,31,34,35);2-11H,12-14H2,1H3,(H2,28,35,36)(H,30,32,34);5-9H,2-4,10-12H2,1H3,(H,28,31,33);3-4,8,12-13,16H,5-7,9-11,14H2,1-2H3,(H2,27,28,33,34);3-4,6,12-13H,2,5,7-11,14H2,1H3,(H2,26,27,32,33);1-2,4-5,7-8H,3,6,9H2,(H2,20,21,24,25);3*1H4/t28-;3*27-;26-;25-;24-;18-;;;/m11011000.../s1
InChIKeyKHNIVBNPWDETEE-MPIJOTANSA-N
XLogP22.64
TPSA943.80 Ų
H-Bond Donors13
H-Bond Acceptors55
Rotatable Bonds38
Heavy Atoms286
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003961.19
LogP ≤ 522.64
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1055

Analyze (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide with MolForge

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What is the IUPAC name of (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide?
The IUPAC name of (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide (CID 159136223) is (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide.
What is the SMILES notation for (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide?
The canonical SMILES for (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide is C.C.C.CCN1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.CN(C)C1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(S(N)(=O)=O)cc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(-c5cccc(C#N)c5)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(cc4o3)C(=O)CCC5)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(cc4o3)C(=O)CCCC5)CC(=O)NC1=O)C2.O=C1C[C@@](CN2Cc3ccc(OCC4CC4)c(F)c3C2=O)(c2cc3cc4c(c(F)c3o2)C(=O)CC4)C(=O)N1.O=C1NC(=O)[C@](CN2CCc3ccsc3C2=O)(c2cc3ncccc3o2)N1.
What is the InChIKey of (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide?
The InChIKey is KHNIVBNPWDETEE-MPIJOTANSA-N. The full InChI is InChI=1S/C28H22F2N2O6.C27H23FN2O6.C27H19N5O5.C27H22N4O7S.C26H21FN2O6.C25H28N6O4S.C24H26N6O4S.C18H14N4O4S.3CH4/c29-23-18(37-11-13-1-2-13)6-4-15-10-32(26(35)22(15)23)12-28(9-20(34)31-27(28)36)19-8-16-7-14-3-5-17(33)21(14)24(30)25(16)38-19;1-35-19-7-6-15-12-30(25(33)23(15)24(19)28)13-27(11-22(32)29-26(27)34)21-9-16-8-14-4-2-3-5-18(31)17(14)10-20(16)36-21;1-36-19-6-5-17-13-32(24(33)20(17)9-19)14-27(25(34)30-26(35)31-27)23-10-21-22(37-23)8-18(12-29-21)16-4-2-3-15(7-16)11-28;1-37-17-5-2-16-13-31(25(33)19(16)10-17)14-27(12-24(32)30-26(27)34)23-11-21-22(38-23)9-8-20(29-21)15-3-6-18(7-4-15)39(28,35)36;1-34-18-6-5-14-11-29(24(32)22(14)23(18)27)12-26(10-21(31)28-25(26)33)20-8-15-7-13-3-2-4-17(30)16(13)9-19(15)35-20;1-29(2)16-6-10-30(11-7-16)20-4-3-18-17(26-20)13-19(35-18)25(23(33)27-24(34)28-25)14-31-9-5-15-8-12-36-21(15)22(31)32;1-2-28-8-10-29(11-9-28)19-4-3-17-16(25-19)13-18(34-17)24(22(32)26-23(33)27-24)14-30-7-5-15-6-12-35-20(15)21(30)31;23-15-14-10(4-7-27-14)3-6-22(15)9-18(16(24)20-17(25)21-18)13-8-11-12(26-13)2-1-5-19-11;;;/h4,6-8,13H,1-3,5,9-12H2,(H,31,34,36);6-10H,2-5,11-13H2,1H3,(H,29,32,34);2-10,12H,13-14H2,1H3,(H2,30,31,34,35);2-11H,12-14H2,1H3,(H2,28,35,36)(H,30,32,34);5-9H,2-4,10-12H2,1H3,(H,28,31,33);3-4,8,12-13,16H,5-7,9-11,14H2,1-2H3,(H2,27,28,33,34);3-4,6,12-13H,2,5,7-11,14H2,1H3,(H2,26,27,32,33);1-2,4-5,7-8H,3,6,9H2,(H2,20,21,24,25);3*1H4/t28-;3*27-;26-;25-;24-;18-;;;/m11011000.../s1.
What are the key properties of (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide?
(3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide has a molecular weight of 3961.19 g/mol, XLogP of 22.64, 38 rotatable bonds, 13 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-3-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(9-oxo-5,6,7,8-tetrahydrocyclohepta[f][1]benzofuran-2-yl)pyrrolidine-2,5-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;methane;3-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-6-yl]benzonitrile;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide is sourced from PubChem (CID 159136223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).