ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione

C193H177N33O45 — CID 159854849

IUPACethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCCNC(=O)N1CCc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2C1.CCNC(=O)NCc1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2c1.CCOC(=O)NCc1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C#N)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(o3)CCN(C(=O)Cc3cccnc3)C4)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CNC(=O)N(C)C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(C#N)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H26N4O6.2C26H26N4O6.C26H25N3O7.C24H26N4O6.2C22H16N4O5.C19H16N6O4/c1-37-20-5-4-18-14-32(26(35)21(18)11-20)16-28(12-24(33)30-27(28)36)23-10-19-15-31(8-6-22(19)38-23)25(34)9-17-3-2-7-29-13-17;1-29(2)25(34)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)28-24(26)33)14-30-13-16-5-6-18(35-3)10-19(16)23(30)32;1-3-27-25(34)28-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)29-24(26)33)14-30-13-16-5-6-18(35-2)10-19(16)23(30)32;1-3-35-25(33)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(30)28-24(26)32)14-29-13-16-5-6-18(34-2)10-19(16)23(29)31;1-3-25-23(32)27-7-6-18-15(12-27)8-19(34-18)24(10-20(29)26-22(24)31)13-28-11-14-4-5-16(33-2)9-17(14)21(28)30;1-30-15-3-2-12-10-26(20(28)16(12)6-15)11-22(7-19(27)25-21(22)29)18-4-13-9-24-14(8-23)5-17(13)31-18;1-30-13-3-2-12-10-26(20(28)14(12)6-13)11-22(8-19(27)25-21(22)29)18-7-15-16(9-23)24-5-4-17(15)31-18;1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h2-5,7,10-11,13H,6,8-9,12,14-16H2,1H3,(H,30,33,36);4-10H,11-14H2,1-3H3,(H,27,34)(H,28,31,33);4-10H,3,11-14H2,1-2H3,(H2,27,28,34)(H,29,31,33);4-10H,3,11-14H2,1-2H3,(H,27,33)(H,28,30,32);4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,25,32)(H,26,29,31);2-6,9H,7,10-11H2,1H3,(H,25,27,29);2-7H,8,10-11H2,1H3,(H,25,27,29);2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t28-;3*26-;24-;2*22-;19-/m11111110/s1
InChIKeyNQJWUQPBDOWSMD-JSALJKBRSA-N
MW3678.72 g/mol
LogP13.77
Rot. Bonds43

About ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione

ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 159854849) has the molecular formula C193H177N33O45 and a molecular weight of 3678.72 g/mol. Its IUPAC name is ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID159854849
Molecular FormulaC193H177N33O45
Molecular Weight3678.72 g/mol
Exact Mass3676.26
IUPAC Nameethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCCNC(=O)N1CCc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2C1.CCNC(=O)NCc1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2c1.CCOC(=O)NCc1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C#N)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(o3)CCN(C(=O)Cc3cccnc3)C4)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CNC(=O)N(C)C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(C#N)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H26N4O6.2C26H26N4O6.C26H25N3O7.C24H26N4O6.2C22H16N4O5.C19H16N6O4/c1-37-20-5-4-18-14-32(26(35)21(18)11-20)16-28(12-24(33)30-27(28)36)23-10-19-15-31(8-6-22(19)38-23)25(34)9-17-3-2-7-29-13-17;1-29(2)25(34)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)28-24(26)33)14-30-13-16-5-6-18(35-3)10-19(16)23(30)32;1-3-27-25(34)28-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)29-24(26)33)14-30-13-16-5-6-18(35-2)10-19(16)23(30)32;1-3-35-25(33)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(30)28-24(26)32)14-29-13-16-5-6-18(34-2)10-19(16)23(29)31;1-3-25-23(32)27-7-6-18-15(12-27)8-19(34-18)24(10-20(29)26-22(24)31)13-28-11-14-4-5-16(33-2)9-17(14)21(28)30;1-30-15-3-2-12-10-26(20(28)16(12)6-15)11-22(7-19(27)25-21(22)29)18-4-13-9-24-14(8-23)5-17(13)31-18;1-30-13-3-2-12-10-26(20(28)14(12)6-13)11-22(8-19(27)25-21(22)29)18-7-15-16(9-23)24-5-4-17(15)31-18;1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h2-5,7,10-11,13H,6,8-9,12,14-16H2,1H3,(H,30,33,36);4-10H,11-14H2,1-3H3,(H,27,34)(H,28,31,33);4-10H,3,11-14H2,1-2H3,(H2,27,28,34)(H,29,31,33);4-10H,3,11-14H2,1-2H3,(H,27,33)(H,28,30,32);4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,25,32)(H,26,29,31);2-6,9H,7,10-11H2,1H3,(H,25,27,29);2-7H,8,10-11H2,1H3,(H,25,27,29);2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t28-;3*26-;24-;2*22-;19-/m11111110/s1
InChIKeyNQJWUQPBDOWSMD-JSALJKBRSA-N
XLogP13.77
TPSA990.58 Ų
H-Bond Donors14
H-Bond Acceptors53
Rotatable Bonds43
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003678.72
LogP ≤ 513.77
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1053

Analyze ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione (CID 159854849) is ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione is CCNC(=O)N1CCc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2C1.CCNC(=O)NCc1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2c1.CCOC(=O)NCc1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C#N)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(o3)CCN(C(=O)Cc3cccnc3)C4)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CNC(=O)N(C)C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(C#N)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2.
What is the InChIKey of ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is NQJWUQPBDOWSMD-JSALJKBRSA-N. The full InChI is InChI=1S/C28H26N4O6.2C26H26N4O6.C26H25N3O7.C24H26N4O6.2C22H16N4O5.C19H16N6O4/c1-37-20-5-4-18-14-32(26(35)21(18)11-20)16-28(12-24(33)30-27(28)36)23-10-19-15-31(8-6-22(19)38-23)25(34)9-17-3-2-7-29-13-17;1-29(2)25(34)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)28-24(26)33)14-30-13-16-5-6-18(35-3)10-19(16)23(30)32;1-3-27-25(34)28-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)29-24(26)33)14-30-13-16-5-6-18(35-2)10-19(16)23(30)32;1-3-35-25(33)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(30)28-24(26)32)14-29-13-16-5-6-18(34-2)10-19(16)23(29)31;1-3-25-23(32)27-7-6-18-15(12-27)8-19(34-18)24(10-20(29)26-22(24)31)13-28-11-14-4-5-16(33-2)9-17(14)21(28)30;1-30-15-3-2-12-10-26(20(28)16(12)6-15)11-22(7-19(27)25-21(22)29)18-4-13-9-24-14(8-23)5-17(13)31-18;1-30-13-3-2-12-10-26(20(28)14(12)6-13)11-22(8-19(27)25-21(22)29)18-7-15-16(9-23)24-5-4-17(15)31-18;1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h2-5,7,10-11,13H,6,8-9,12,14-16H2,1H3,(H,30,33,36);4-10H,11-14H2,1-3H3,(H,27,34)(H,28,31,33);4-10H,3,11-14H2,1-2H3,(H2,27,28,34)(H,29,31,33);4-10H,3,11-14H2,1-2H3,(H,27,33)(H,28,30,32);4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,25,32)(H,26,29,31);2-6,9H,7,10-11H2,1H3,(H,25,27,29);2-7H,8,10-11H2,1H3,(H,25,27,29);2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t28-;3*26-;24-;2*22-;19-/m11111110/s1.
What are the key properties of ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?
ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 3678.72 g/mol, XLogP of 13.77, 43 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate;1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea;N-ethyl-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-4-carbonitrile;2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-c]pyridine-6-carbonitrile;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-pyridin-3-ylacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).