3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

C167H144Cl8F9N17O21S7 — CID 159923546

IUPAC3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCC1C.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CN(C)C[C@@H]1F.N#Cc1cc(Cl)c(O[C@@H]2CCC[C@@H]2F)c(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1.N#Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(C(F)(F)F)c3O[C@@H]3CCC[C@@H]3F)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(Cl)c3O[C@@H]3CCC[C@@H]3F)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)ccc3O[C@@H]3CCC[C@@H]3F)c2s1
InChIInChI=1S/C25H25ClN2O3S.C24H19ClF4N2O3S.C24H23ClFN3O3S.2C24H19ClFN3O3S.C23H19Cl2FN2O3S.C23H20ClFN2O3S/c1-14-4-3-5-21(14)31-24-15(2)10-16(26)11-19(24)18-8-9-27-20-12-17(32-25(18)20)13-28-22(29)6-7-23(28)30;25-12-8-15(22(16(9-12)24(27,28)29)34-19-3-1-2-17(19)26)14-6-7-30-18-10-13(35-23(14)18)11-31-20(32)4-5-21(31)33;1-13-7-14(25)8-17(23(13)32-20-12-28(2)11-18(20)26)16-5-6-27-19-9-15(33-24(16)19)10-29-21(30)3-4-22(29)31;25-14-8-13(11-27)23(32-20-3-1-2-18(20)26)17(9-14)16-6-7-28-19-10-15(33-24(16)19)12-29-21(30)4-5-22(29)31;25-17-9-13(11-27)8-16(23(17)32-20-3-1-2-18(20)26)15-6-7-28-19-10-14(33-24(15)19)12-29-21(30)4-5-22(29)31;24-12-8-15(22(16(25)9-12)31-19-3-1-2-17(19)26)14-6-7-27-18-10-13(32-23(14)18)11-28-20(29)4-5-21(28)30;24-13-4-5-19(30-20-3-1-2-17(20)25)16(10-13)15-8-9-26-18-11-14(31-23(15)18)12-27-21(28)6-7-22(27)29/h8-12,14,21H,3-7,13H2,1-2H3;6-10,17,19H,1-5,11H2;5-9,18,20H,3-4,10-12H2,1-2H3;2*6-10,18,20H,1-5,12H2;6-10,17,19H,1-5,11H2;4-5,8-11,17,20H,1-3,6-7,12H2/t;17-,19+;3*18-,20+;17-,19+;17-,20+/m.000000/s1
InChIKeyNYSLGAPKIQWAFL-UKWBMEHGSA-N
MW3404.16 g/mol
LogP39.84
Rot. Bonds35

About 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 159923546) has the molecular formula C167H144Cl8F9N17O21S7 and a molecular weight of 3404.16 g/mol. Its IUPAC name is 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID159923546
Molecular FormulaC167H144Cl8F9N17O21S7
Molecular Weight3404.16 g/mol
Exact Mass3397.61
IUPAC Name3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCC1C.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CN(C)C[C@@H]1F.N#Cc1cc(Cl)c(O[C@@H]2CCC[C@@H]2F)c(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1.N#Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(C(F)(F)F)c3O[C@@H]3CCC[C@@H]3F)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(Cl)c3O[C@@H]3CCC[C@@H]3F)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)ccc3O[C@@H]3CCC[C@@H]3F)c2s1
InChIInChI=1S/C25H25ClN2O3S.C24H19ClF4N2O3S.C24H23ClFN3O3S.2C24H19ClFN3O3S.C23H19Cl2FN2O3S.C23H20ClFN2O3S/c1-14-4-3-5-21(14)31-24-15(2)10-16(26)11-19(24)18-8-9-27-20-12-17(32-25(18)20)13-28-22(29)6-7-23(28)30;25-12-8-15(22(16(9-12)24(27,28)29)34-19-3-1-2-17(19)26)14-6-7-30-18-10-13(35-23(14)18)11-31-20(32)4-5-21(31)33;1-13-7-14(25)8-17(23(13)32-20-12-28(2)11-18(20)26)16-5-6-27-19-9-15(33-24(16)19)10-29-21(30)3-4-22(29)31;25-14-8-13(11-27)23(32-20-3-1-2-18(20)26)17(9-14)16-6-7-28-19-10-15(33-24(16)19)12-29-21(30)4-5-22(29)31;25-17-9-13(11-27)8-16(23(17)32-20-3-1-2-18(20)26)15-6-7-28-19-10-14(33-24(15)19)12-29-21(30)4-5-22(29)31;24-12-8-15(22(16(25)9-12)31-19-3-1-2-17(19)26)14-6-7-27-18-10-13(32-23(14)18)11-28-20(29)4-5-21(28)30;24-13-4-5-19(30-20-3-1-2-17(20)25)16(10-13)15-8-9-26-18-11-14(31-23(15)18)12-27-21(28)6-7-22(27)29/h8-12,14,21H,3-7,13H2,1-2H3;6-10,17,19H,1-5,11H2;5-9,18,20H,3-4,10-12H2,1-2H3;2*6-10,18,20H,1-5,12H2;6-10,17,19H,1-5,11H2;4-5,8-11,17,20H,1-3,6-7,12H2/t;17-,19+;3*18-,20+;17-,19+;17-,20+/m.000000/s1
InChIKeyNYSLGAPKIQWAFL-UKWBMEHGSA-N
XLogP39.84
TPSA467.32 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003404.16
LogP ≤ 539.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (CID 159923546) is 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCC1C.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CN(C)C[C@@H]1F.N#Cc1cc(Cl)c(O[C@@H]2CCC[C@@H]2F)c(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1.N#Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(C(F)(F)F)c3O[C@@H]3CCC[C@@H]3F)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(Cl)c3O[C@@H]3CCC[C@@H]3F)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)ccc3O[C@@H]3CCC[C@@H]3F)c2s1.
What is the InChIKey of 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is NYSLGAPKIQWAFL-UKWBMEHGSA-N. The full InChI is InChI=1S/C25H25ClN2O3S.C24H19ClF4N2O3S.C24H23ClFN3O3S.2C24H19ClFN3O3S.C23H19Cl2FN2O3S.C23H20ClFN2O3S/c1-14-4-3-5-21(14)31-24-15(2)10-16(26)11-19(24)18-8-9-27-20-12-17(32-25(18)20)13-28-22(29)6-7-23(28)30;25-12-8-15(22(16(9-12)24(27,28)29)34-19-3-1-2-17(19)26)14-6-7-30-18-10-13(35-23(14)18)11-31-20(32)4-5-21(31)33;1-13-7-14(25)8-17(23(13)32-20-12-28(2)11-18(20)26)16-5-6-27-19-9-15(33-24(16)19)10-29-21(30)3-4-22(29)31;25-14-8-13(11-27)23(32-20-3-1-2-18(20)26)17(9-14)16-6-7-28-19-10-15(33-24(16)19)12-29-21(30)4-5-22(29)31;25-17-9-13(11-27)8-16(23(17)32-20-3-1-2-18(20)26)15-6-7-28-19-10-14(33-24(15)19)12-29-21(30)4-5-22(29)31;24-12-8-15(22(16(25)9-12)31-19-3-1-2-17(19)26)14-6-7-27-18-10-13(32-23(14)18)11-28-20(29)4-5-21(28)30;24-13-4-5-19(30-20-3-1-2-17(20)25)16(10-13)15-8-9-26-18-11-14(31-23(15)18)12-27-21(28)6-7-22(27)29/h8-12,14,21H,3-7,13H2,1-2H3;6-10,17,19H,1-5,11H2;5-9,18,20H,3-4,10-12H2,1-2H3;2*6-10,18,20H,1-5,12H2;6-10,17,19H,1-5,11H2;4-5,8-11,17,20H,1-3,6-7,12H2/t;17-,19+;3*18-,20+;17-,19+;17-,20+/m.000000/s1.
What are the key properties of 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 3404.16 g/mol, XLogP of 39.84, 35 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;5-chloro-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-[(1R,2S)-2-fluorocyclopentyl]oxybenzonitrile;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(2-methylcyclopentyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[3,5-dichloro-2-[(1R,2S)-2-fluorocyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159923546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).