1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile

C174H165BrCl6F7N17O21S6 — CID 158149984

IUPAC1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile
SMILESCC[C@H]1C[C@H](Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)CN1.Cc1cc(C#N)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)ccc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1CO.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CN[C@@H](C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCCC4C(F)(F)F)sc23)c1O[C@@H]1CCC[C@@H]1F.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(Br)c3O[C@@H]3CCC[C@@H]3F)c2s1
InChIInChI=1S/C26H25ClF4N2O2S.C26H24ClFN2O3.C25H26ClN3O3S.C25H25ClN2O4S.C25H22FN3O3S.C24H24ClN3O3S.C23H19BrClFN2O3S/c1-14-10-15(27)11-18(24(14)35-21-5-2-4-19(21)28)17-8-9-32-20-12-16(36-25(17)20)13-33-22(26(29,30)31)6-3-7-23(33)34;1-15-11-17(27)13-20(26(15)33-23-4-2-3-21(23)28)18-9-10-29-22-12-16(5-6-19(18)22)14-30-24(31)7-8-25(30)32;1-3-16-10-17(12-28-16)32-24-14(2)8-15(26)9-20(24)19-6-7-27-21-11-18(33-25(19)21)13-29-22(30)4-5-23(29)31;1-14-9-16(26)10-19(24(14)32-21-4-2-3-15(21)13-29)18-7-8-27-20-11-17(33-25(18)20)12-28-22(30)5-6-23(28)31;1-14-9-15(12-27)10-18(24(14)32-21-4-2-3-19(21)26)17-7-8-28-20-11-16(33-25(17)20)13-29-22(30)5-6-23(29)31;1-13-7-15(25)9-19(23(13)31-16-8-14(2)27-11-16)18-5-6-26-20-10-17(32-24(18)20)12-28-21(29)3-4-22(28)30;24-16-9-12(25)8-15(22(16)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/h8-12,19,21-22H,2-7,13H2,1H3;5-6,9-13,21,23H,2-4,7-8,14H2,1H3;6-9,11,16-17,28H,3-5,10,12-13H2,1-2H3;7-11,15,21,29H,2-6,12-13H2,1H3;7-11,19,21H,2-6,13H2,1H3;5-7,9-10,14,16,27H,3-4,8,11-12H2,1-2H3;6-10,17,19H,1-5,11H2/t19-,21+,22?;21-,23+;16-,17-;15-,21-;19-,21+;14-,16-;17-,19+/m0001000/s1
InChIKeyFUZHVTCEAVQSTP-GVQPECSXSA-N
MW3448.34 g/mol
LogP39.69
Rot. Bonds37

About 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile

1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile (PubChem CID 158149984) has the molecular formula C174H165BrCl6F7N17O21S6 and a molecular weight of 3448.34 g/mol. Its IUPAC name is 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile.

Molecular Properties

Compound Name1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile
PubChem CID158149984
Molecular FormulaC174H165BrCl6F7N17O21S6
Molecular Weight3448.34 g/mol
Exact Mass3441.79
IUPAC Name1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile
SMILESCC[C@H]1C[C@H](Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)CN1.Cc1cc(C#N)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)ccc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1CO.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CN[C@@H](C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCCC4C(F)(F)F)sc23)c1O[C@@H]1CCC[C@@H]1F.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(Br)c3O[C@@H]3CCC[C@@H]3F)c2s1
InChIInChI=1S/C26H25ClF4N2O2S.C26H24ClFN2O3.C25H26ClN3O3S.C25H25ClN2O4S.C25H22FN3O3S.C24H24ClN3O3S.C23H19BrClFN2O3S/c1-14-10-15(27)11-18(24(14)35-21-5-2-4-19(21)28)17-8-9-32-20-12-16(36-25(17)20)13-33-22(26(29,30)31)6-3-7-23(33)34;1-15-11-17(27)13-20(26(15)33-23-4-2-3-21(23)28)18-9-10-29-22-12-16(5-6-19(18)22)14-30-24(31)7-8-25(30)32;1-3-16-10-17(12-28-16)32-24-14(2)8-15(26)9-20(24)19-6-7-27-21-11-18(33-25(19)21)13-29-22(30)4-5-23(29)31;1-14-9-16(26)10-19(24(14)32-21-4-2-3-15(21)13-29)18-7-8-27-20-11-17(33-25(18)20)12-28-22(30)5-6-23(28)31;1-14-9-15(12-27)10-18(24(14)32-21-4-2-3-19(21)26)17-7-8-28-20-11-16(33-25(17)20)13-29-22(30)5-6-23(29)31;1-13-7-15(25)9-19(23(13)31-16-8-14(2)27-11-16)18-5-6-26-20-10-17(32-24(18)20)12-28-21(29)3-4-22(28)30;24-16-9-12(25)8-15(22(16)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/h8-12,19,21-22H,2-7,13H2,1H3;5-6,9-13,21,23H,2-4,7-8,14H2,1H3;6-9,11,16-17,28H,3-5,10,12-13H2,1-2H3;7-11,15,21,29H,2-6,12-13H2,1H3;7-11,19,21H,2-6,13H2,1H3;5-7,9-10,14,16,27H,3-4,8,11-12H2,1-2H3;6-10,17,19H,1-5,11H2/t19-,21+,22?;21-,23+;16-,17-;15-,21-;19-,21+;14-,16-;17-,19+/m0001000/s1
InChIKeyFUZHVTCEAVQSTP-GVQPECSXSA-N
XLogP39.69
TPSA467.51 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003448.34
LogP ≤ 539.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile with MolForge

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Related Compounds

(4S)-4-[4-chloro-2-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]-N,N-dimethylpyrrolidine-2-carboxamide;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[7-[5-chloro-2-[(1S,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3S,5R)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3S,4S)-4-propan-2-ylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[[7-[2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 160048529
1-[[7-[5-chloro-2-[(1R,3R)-3-ethylcyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[[7-[3-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 160511640

Frequently Asked Questions

What is the IUPAC name of 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
The IUPAC name of 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile (CID 158149984) is 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile.
What is the SMILES notation for 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
The canonical SMILES for 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile is CC[C@H]1C[C@H](Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)CN1.Cc1cc(C#N)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)ccc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1CO.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CN[C@@H](C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCCC4C(F)(F)F)sc23)c1O[C@@H]1CCC[C@@H]1F.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc(Br)c3O[C@@H]3CCC[C@@H]3F)c2s1.
What is the InChIKey of 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
The InChIKey is FUZHVTCEAVQSTP-GVQPECSXSA-N. The full InChI is InChI=1S/C26H25ClF4N2O2S.C26H24ClFN2O3.C25H26ClN3O3S.C25H25ClN2O4S.C25H22FN3O3S.C24H24ClN3O3S.C23H19BrClFN2O3S/c1-14-10-15(27)11-18(24(14)35-21-5-2-4-19(21)28)17-8-9-32-20-12-16(36-25(17)20)13-33-22(26(29,30)31)6-3-7-23(33)34;1-15-11-17(27)13-20(26(15)33-23-4-2-3-21(23)28)18-9-10-29-22-12-16(5-6-19(18)22)14-30-24(31)7-8-25(30)32;1-3-16-10-17(12-28-16)32-24-14(2)8-15(26)9-20(24)19-6-7-27-21-11-18(33-25(19)21)13-29-22(30)4-5-23(29)31;1-14-9-16(26)10-19(24(14)32-21-4-2-3-15(21)13-29)18-7-8-27-20-11-17(33-25(18)20)12-28-22(30)5-6-23(28)31;1-14-9-15(12-27)10-18(24(14)32-21-4-2-3-19(21)26)17-7-8-28-20-11-16(33-25(17)20)13-29-22(30)5-6-23(29)31;1-13-7-15(25)9-19(23(13)31-16-8-14(2)27-11-16)18-5-6-26-20-10-17(32-24(18)20)12-28-21(29)3-4-22(28)30;24-16-9-12(25)8-15(22(16)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/h8-12,19,21-22H,2-7,13H2,1H3;5-6,9-13,21,23H,2-4,7-8,14H2,1H3;6-9,11,16-17,28H,3-5,10,12-13H2,1-2H3;7-11,15,21,29H,2-6,12-13H2,1H3;7-11,19,21H,2-6,13H2,1H3;5-7,9-10,14,16,27H,3-4,8,11-12H2,1-2H3;6-10,17,19H,1-5,11H2/t19-,21+,22?;21-,23+;16-,17-;15-,21-;19-,21+;14-,16-;17-,19+/m0001000/s1.
What are the key properties of 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile has a molecular weight of 3448.34 g/mol, XLogP of 39.69, 37 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-[3-bromo-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-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)piperidin-2-one;1-[[7-[5-chloro-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile is sourced from PubChem (CID 158149984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).