(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

C108H87F5N14O20 — CID 161156910

IUPAC(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccc(N(C)C)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5=CCN=C5)c(F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(-c5c(C)n[nH]c5C)c(F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5=CCN=C5)c(F)cc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C29H26N4O5.C27H22F2N4O5.C26H19F2N3O5.C26H20FN3O5/c1-32(2)25-9-6-18(14-30-25)17-5-8-23-20(10-17)11-24(38-23)29(13-26(34)31-28(29)36)16-33-15-19-4-7-21(37-3)12-22(19)27(33)35;1-12-22(13(2)32-31-12)16-6-15-7-20(38-19(15)8-17(16)28)27(9-21(34)30-26(27)36)11-33-10-14-4-5-18(37-3)24(29)23(14)25(33)35;1-35-18-3-2-14-11-31(24(33)22(14)23(18)28)12-26(9-21(32)30-25(26)34)20-7-15-6-16(13-4-5-29-10-13)17(27)8-19(15)36-20;1-34-17-3-2-15-12-30(24(32)19(15)8-17)13-26(10-23(31)29-25(26)33)22-7-16-6-18(14-4-5-28-11-14)20(27)9-21(16)35-22/h4-12,14H,13,15-16H2,1-3H3,(H,31,34,36);4-8H,9-11H2,1-3H3,(H,31,32)(H,30,34,36);2-4,6-8,10H,5,9,11-12H2,1H3,(H,30,32,34);2-4,6-9,11H,5,10,12-13H2,1H3,(H,29,31,33)/t29-;27-;2*26-/m1111/s1
InChIKeyUPKJEHKSQAYONW-JCSWEJFZSA-N
MW1995.95 g/mol
LogP13.29
Rot. Bonds21

About (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 161156910) has the molecular formula C108H87F5N14O20 and a molecular weight of 1995.95 g/mol. Its IUPAC name is (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID161156910
Molecular FormulaC108H87F5N14O20
Molecular Weight1995.95 g/mol
Exact Mass1994.61
IUPAC Name(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccc(N(C)C)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5=CCN=C5)c(F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(-c5c(C)n[nH]c5C)c(F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5=CCN=C5)c(F)cc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C29H26N4O5.C27H22F2N4O5.C26H19F2N3O5.C26H20FN3O5/c1-32(2)25-9-6-18(14-30-25)17-5-8-23-20(10-17)11-24(38-23)29(13-26(34)31-28(29)36)16-33-15-19-4-7-21(37-3)12-22(19)27(33)35;1-12-22(13(2)32-31-12)16-6-15-7-20(38-19(15)8-17(16)28)27(9-21(34)30-26(27)36)11-33-10-14-4-5-18(37-3)24(29)23(14)25(33)35;1-35-18-3-2-14-11-31(24(33)22(14)23(18)28)12-26(9-21(32)30-25(26)34)20-7-15-6-16(13-4-5-29-10-13)17(27)8-19(15)36-20;1-34-17-3-2-15-12-30(24(32)19(15)8-17)13-26(10-23(31)29-25(26)33)22-7-16-6-18(14-4-5-28-11-14)20(27)9-21(16)35-22/h4-12,14H,13,15-16H2,1-3H3,(H,31,34,36);4-8H,9-11H2,1-3H3,(H,31,32)(H,30,34,36);2-4,6-8,10H,5,9,11-12H2,1H3,(H,30,32,34);2-4,6-9,11H,5,10,12-13H2,1H3,(H,29,31,33)/t29-;27-;2*26-/m1111/s1
InChIKeyUPKJEHKSQAYONW-JCSWEJFZSA-N
XLogP13.29
TPSA424.93 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.95
LogP ≤ 513.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 161156910) is (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccc(N(C)C)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5=CCN=C5)c(F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(-c5c(C)n[nH]c5C)c(F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5=CCN=C5)c(F)cc4o3)CC(=O)NC1=O)C2.
What is the InChIKey of (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is UPKJEHKSQAYONW-JCSWEJFZSA-N. The full InChI is InChI=1S/C29H26N4O5.C27H22F2N4O5.C26H19F2N3O5.C26H20FN3O5/c1-32(2)25-9-6-18(14-30-25)17-5-8-23-20(10-17)11-24(38-23)29(13-26(34)31-28(29)36)16-33-15-19-4-7-21(37-3)12-22(19)27(33)35;1-12-22(13(2)32-31-12)16-6-15-7-20(38-19(15)8-17(16)28)27(9-21(34)30-26(27)36)11-33-10-14-4-5-18(37-3)24(29)23(14)25(33)35;1-35-18-3-2-14-11-31(24(33)22(14)23(18)28)12-26(9-21(32)30-25(26)34)20-7-15-6-16(13-4-5-29-10-13)17(27)8-19(15)36-20;1-34-17-3-2-15-12-30(24(32)19(15)8-17)13-26(10-23(31)29-25(26)33)22-7-16-6-18(14-4-5-28-11-14)20(27)9-21(16)35-22/h4-12,14H,13,15-16H2,1-3H3,(H,31,34,36);4-8H,9-11H2,1-3H3,(H,31,32)(H,30,34,36);2-4,6-8,10H,5,9,11-12H2,1H3,(H,30,32,34);2-4,6-9,11H,5,10,12-13H2,1H3,(H,29,31,33)/t29-;27-;2*26-/m1111/s1.
What are the key properties of (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 1995.95 g/mol, XLogP of 13.29, 21 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1-benzofuran-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(3R)-3-[6-fluoro-5-(2H-pyrrol-4-yl)-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 161156910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).