3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione

C186H174Cl7F7N16O23S10 — CID 158406171

IUPAC3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CCN4C(=O)c5ccccc5S4(=O)=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CCOC4=NS(=O)(=O)c5ccccc54)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCC5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCCC5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCN5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)SC(C)(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/2C28H24ClFN2O4S2.C28H28ClFN2O3S.C27H26ClFN2O3S.C26H25ClFN3O3S.C25H24ClFN2O3S2.C24H23ClFN3O3S/c1-16-13-17(29)14-21(26(16)36-24-7-4-6-22(24)30)19-9-11-31-23-15-18(37-27(19)23)10-12-35-28-20-5-2-3-8-25(20)38(33,34)32-28;1-16-13-17(29)14-21(26(16)36-24-7-4-6-22(24)30)19-9-11-31-23-15-18(37-27(19)23)10-12-32-28(33)20-5-2-3-8-25(20)38(32,34)35;1-15-11-16(29)12-21(25(15)35-24-8-4-7-22(24)30)18-9-10-31-23-13-17(36-26(18)23)14-32-27(33)19-5-2-3-6-20(19)28(32)34;1-14-10-15(28)11-20(24(14)34-23-7-3-6-21(23)29)17-8-9-30-22-12-16(35-25(17)22)13-31-26(32)18-4-2-5-19(18)27(31)33;1-14-10-15(27)11-18(23(14)34-22-6-2-4-19(22)28)17-7-8-29-20-12-16(35-24(17)20)13-31-25(32)21-5-3-9-30(21)26(31)33;1-13-9-14(26)10-17(21(13)32-20-6-4-5-18(20)27)16-7-8-28-19-11-15(33-22(16)19)12-29-23(30)25(2,3)34-24(29)31;1-13-8-14(25)9-17(22(13)32-20-5-3-4-18(20)26)16-6-7-27-19-10-15(33-23(16)19)11-29-21(30)12-28(2)24(29)31/h2*2-3,5,8-9,11,13-15,22,24H,4,6-7,10,12H2,1H3;9-13,19-20,22,24H,2-8,14H2,1H3;8-12,18-19,21,23H,2-7,13H2,1H3;7-8,10-12,19,21-22H,2-6,9,13H2,1H3;7-11,18,20H,4-6,12H2,1-3H3;6-10,18,20H,3-5,11-12H2,1-2H3/t2*22-,24+;19?,20?,22-,24+;18?,19?,21-,23+;19-,21?,22+;2*18-,20+/m0000000/s1
InChIKeyGYSMIIMTZCFJKI-ZNBYAZHXSA-N
MW3703.35 g/mol
LogP45.71
Rot. Bonds37

About 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione

3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 158406171) has the molecular formula C186H174Cl7F7N16O23S10 and a molecular weight of 3703.35 g/mol. Its IUPAC name is 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione
PubChem CID158406171
Molecular FormulaC186H174Cl7F7N16O23S10
Molecular Weight3703.35 g/mol
Exact Mass3696.79
IUPAC Name3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CCN4C(=O)c5ccccc5S4(=O)=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CCOC4=NS(=O)(=O)c5ccccc54)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCC5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCCC5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCN5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)SC(C)(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/2C28H24ClFN2O4S2.C28H28ClFN2O3S.C27H26ClFN2O3S.C26H25ClFN3O3S.C25H24ClFN2O3S2.C24H23ClFN3O3S/c1-16-13-17(29)14-21(26(16)36-24-7-4-6-22(24)30)19-9-11-31-23-15-18(37-27(19)23)10-12-35-28-20-5-2-3-8-25(20)38(33,34)32-28;1-16-13-17(29)14-21(26(16)36-24-7-4-6-22(24)30)19-9-11-31-23-15-18(37-27(19)23)10-12-32-28(33)20-5-2-3-8-25(20)38(32,34)35;1-15-11-16(29)12-21(25(15)35-24-8-4-7-22(24)30)18-9-10-31-23-13-17(36-26(18)23)14-32-27(33)19-5-2-3-6-20(19)28(32)34;1-14-10-15(28)11-20(24(14)34-23-7-3-6-21(23)29)17-8-9-30-22-12-16(35-25(17)22)13-31-26(32)18-4-2-5-19(18)27(31)33;1-14-10-15(27)11-18(23(14)34-22-6-2-4-19(22)28)17-7-8-29-20-12-16(35-24(17)20)13-31-25(32)21-5-3-9-30(21)26(31)33;1-13-9-14(26)10-17(21(13)32-20-6-4-5-18(20)27)16-7-8-28-19-11-15(33-22(16)19)12-29-23(30)25(2,3)34-24(29)31;1-13-8-14(25)9-17(22(13)32-20-5-3-4-18(20)26)16-6-7-27-19-10-15(33-23(16)19)11-29-21(30)12-28(2)24(29)31/h2*2-3,5,8-9,11,13-15,22,24H,4,6-7,10,12H2,1H3;9-13,19-20,22,24H,2-8,14H2,1H3;8-12,18-19,21,23H,2-7,13H2,1H3;7-8,10-12,19,21-22H,2-6,9,13H2,1H3;7-11,18,20H,4-6,12H2,1-3H3;6-10,18,20H,3-5,11-12H2,1-2H3/t2*22-,24+;19?,20?,22-,24+;18?,19?,21-,23+;19-,21?,22+;2*18-,20+/m0000000/s1
InChIKeyGYSMIIMTZCFJKI-ZNBYAZHXSA-N
XLogP45.71
TPSA458.40 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003703.35
LogP ≤ 545.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione (CID 158406171) is 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CCN4C(=O)c5ccccc5S4(=O)=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CCOC4=NS(=O)(=O)c5ccccc54)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCC5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCCC5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCN5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)SC(C)(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.
What is the InChIKey of 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is GYSMIIMTZCFJKI-ZNBYAZHXSA-N. The full InChI is InChI=1S/2C28H24ClFN2O4S2.C28H28ClFN2O3S.C27H26ClFN2O3S.C26H25ClFN3O3S.C25H24ClFN2O3S2.C24H23ClFN3O3S/c1-16-13-17(29)14-21(26(16)36-24-7-4-6-22(24)30)19-9-11-31-23-15-18(37-27(19)23)10-12-35-28-20-5-2-3-8-25(20)38(33,34)32-28;1-16-13-17(29)14-21(26(16)36-24-7-4-6-22(24)30)19-9-11-31-23-15-18(37-27(19)23)10-12-32-28(33)20-5-2-3-8-25(20)38(32,34)35;1-15-11-16(29)12-21(25(15)35-24-8-4-7-22(24)30)18-9-10-31-23-13-17(36-26(18)23)14-32-27(33)19-5-2-3-6-20(19)28(32)34;1-14-10-15(28)11-20(24(14)34-23-7-3-6-21(23)29)17-8-9-30-22-12-16(35-25(17)22)13-31-26(32)18-4-2-5-19(18)27(31)33;1-14-10-15(27)11-18(23(14)34-22-6-2-4-19(22)28)17-7-8-29-20-12-16(35-24(17)20)13-31-25(32)21-5-3-9-30(21)26(31)33;1-13-9-14(26)10-17(21(13)32-20-6-4-5-18(20)27)16-7-8-28-19-11-15(33-22(16)19)12-29-23(30)25(2,3)34-24(29)31;1-13-8-14(25)9-17(22(13)32-20-5-3-4-18(20)26)16-6-7-27-19-10-15(33-23(16)19)11-29-21(30)12-28(2)24(29)31/h2*2-3,5,8-9,11,13-15,22,24H,4,6-7,10,12H2,1H3;9-13,19-20,22,24H,2-8,14H2,1H3;8-12,18-19,21,23H,2-7,13H2,1H3;7-8,10-12,19,21-22H,2-6,9,13H2,1H3;7-11,18,20H,4-6,12H2,1-3H3;6-10,18,20H,3-5,11-12H2,1-2H3/t2*22-,24+;19?,20?,22-,24+;18?,19?,21-,23+;19-,21?,22+;2*18-,20+/m0000000/s1.
What are the key properties of 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 3703.35 g/mol, XLogP of 45.71, 37 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethoxy]-1,2-benzothiazole 1,1-dioxide;2-[2-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;2-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 158406171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).