N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile

C172H160Cl5F5N18O22S8 — CID 159736045

IUPACN-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile
SMILESCO[C@H]1CCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12.Cc1cc(C#N)cc(-c2ncnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(C#N)cc(-c2ncnc3cc(CN4C(=O)c5ccccc5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1CF.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CNS(C)(=O)=O)sc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C28H21FN4O3S.C25H24ClFN2O3S.C25H25ClN2O4S.C25H25ClN2O3S.C24H22ClFN2O3S.C24H21FN4O3S.C21H22ClFN2O3S2/c1-15-9-16(12-30)10-20(25(15)36-23-8-4-7-21(23)29)24-26-22(31-14-32-24)11-17(37-26)13-33-27(34)18-5-2-3-6-19(18)28(33)35;1-14-9-16(26)10-19(24(14)32-21-4-2-3-15(21)12-27)18-7-8-28-20-11-17(33-25(18)20)13-29-22(30)5-6-23(29)31;1-14-10-15(26)11-18(24(14)32-21-5-3-4-20(21)31-2)17-8-9-27-19-12-16(33-25(17)19)13-28-22(29)6-7-23(28)30;1-14-4-3-5-21(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;1-13-9-14(25)10-17(23(13)31-20-4-2-3-18(20)26)16-7-8-27-19-11-15(32-24(16)19)12-28-21(29)5-6-22(28)30;1-13-7-14(10-26)8-16(23(13)32-19-4-2-3-17(19)25)22-24-18(27-12-28-22)9-15(33-24)11-29-20(30)5-6-21(29)31;1-12-8-13(22)9-16(20(12)28-19-5-3-4-17(19)23)15-6-7-24-18-10-14(29-21(15)18)11-25-30(2,26)27/h2-3,5-6,9-11,14,21,23H,4,7-8,13H2,1H3;7-11,15,21H,2-6,12-13H2,1H3;8-12,20-21H,3-7,13H2,1-2H3;8-12,14,21H,3-7,13H2,1-2H3;7-11,18,20H,2-6,12H2,1H3;7-9,12,17,19H,2-6,11H2,1H3;6-10,17,19,25H,3-5,11H2,1-2H3/t21-,23+;15-,21-;20-,21+;14-,21+;18-,20-;2*17-,19+/m0100100/s1
InChIKeyNBVWVGVIUYIMNS-WJADHULCSA-N
MW3360.07 g/mol
LogP38.90
Rot. Bonds38

About N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile

N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile (PubChem CID 159736045) has the molecular formula C172H160Cl5F5N18O22S8 and a molecular weight of 3360.07 g/mol. Its IUPAC name is N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile.

Molecular Properties

Compound NameN-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile
PubChem CID159736045
Molecular FormulaC172H160Cl5F5N18O22S8
Molecular Weight3360.07 g/mol
Exact Mass3354.81
IUPAC NameN-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile
SMILESCO[C@H]1CCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12.Cc1cc(C#N)cc(-c2ncnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(C#N)cc(-c2ncnc3cc(CN4C(=O)c5ccccc5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1CF.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CNS(C)(=O)=O)sc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C28H21FN4O3S.C25H24ClFN2O3S.C25H25ClN2O4S.C25H25ClN2O3S.C24H22ClFN2O3S.C24H21FN4O3S.C21H22ClFN2O3S2/c1-15-9-16(12-30)10-20(25(15)36-23-8-4-7-21(23)29)24-26-22(31-14-32-24)11-17(37-26)13-33-27(34)18-5-2-3-6-19(18)28(33)35;1-14-9-16(26)10-19(24(14)32-21-4-2-3-15(21)12-27)18-7-8-28-20-11-17(33-25(18)20)13-29-22(30)5-6-23(29)31;1-14-10-15(26)11-18(24(14)32-21-5-3-4-20(21)31-2)17-8-9-27-19-12-16(33-25(17)19)13-28-22(29)6-7-23(28)30;1-14-4-3-5-21(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;1-13-9-14(25)10-17(23(13)31-20-4-2-3-18(20)26)16-7-8-27-19-11-15(32-24(16)19)12-28-21(29)5-6-22(28)30;1-13-7-14(10-26)8-16(23(13)32-19-4-2-3-17(19)25)22-24-18(27-12-28-22)9-15(33-24)11-29-20(30)5-6-21(29)31;1-12-8-13(22)9-16(20(12)28-19-5-3-4-17(19)23)15-6-7-24-18-10-14(29-21(15)18)11-25-30(2,26)27/h2-3,5-6,9-11,14,21,23H,4,7-8,13H2,1H3;7-11,15,21H,2-6,12-13H2,1H3;8-12,20-21H,3-7,13H2,1-2H3;8-12,14,21H,3-7,13H2,1-2H3;7-11,18,20H,2-6,12H2,1H3;7-9,12,17,19H,2-6,11H2,1H3;6-10,17,19,25H,3-5,11H2,1-2H3/t21-,23+;15-,21-;20-,21+;14-,21+;18-,20-;2*17-,19+/m0100100/s1
InChIKeyNBVWVGVIUYIMNS-WJADHULCSA-N
XLogP38.90
TPSA507.88 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003360.07
LogP ≤ 538.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
The IUPAC name of N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile (CID 159736045) is N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile.
What is the SMILES notation for N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
The canonical SMILES for N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile is CO[C@H]1CCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12.Cc1cc(C#N)cc(-c2ncnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(C#N)cc(-c2ncnc3cc(CN4C(=O)c5ccccc5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@@H]1CF.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCC[C@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CNS(C)(=O)=O)sc23)c1O[C@@H]1CCC[C@@H]1F.
What is the InChIKey of N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
The InChIKey is NBVWVGVIUYIMNS-WJADHULCSA-N. The full InChI is InChI=1S/C28H21FN4O3S.C25H24ClFN2O3S.C25H25ClN2O4S.C25H25ClN2O3S.C24H22ClFN2O3S.C24H21FN4O3S.C21H22ClFN2O3S2/c1-15-9-16(12-30)10-20(25(15)36-23-8-4-7-21(23)29)24-26-22(31-14-32-24)11-17(37-26)13-33-27(34)18-5-2-3-6-19(18)28(33)35;1-14-9-16(26)10-19(24(14)32-21-4-2-3-15(21)12-27)18-7-8-28-20-11-17(33-25(18)20)13-29-22(30)5-6-23(29)31;1-14-10-15(26)11-18(24(14)32-21-5-3-4-20(21)31-2)17-8-9-27-19-12-16(33-25(17)19)13-28-22(29)6-7-23(28)30;1-14-4-3-5-21(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;1-13-9-14(25)10-17(23(13)31-20-4-2-3-18(20)26)16-7-8-27-19-11-15(32-24(16)19)12-28-21(29)5-6-22(28)30;1-13-7-14(10-26)8-16(23(13)32-19-4-2-3-17(19)25)22-24-18(27-12-28-22)9-15(33-24)11-29-20(30)5-6-21(29)31;1-12-8-13(22)9-16(20(12)28-19-5-3-4-17(19)23)15-6-7-24-18-10-14(29-21(15)18)11-25-30(2,26)27/h2-3,5-6,9-11,14,21,23H,4,7-8,13H2,1H3;7-11,15,21H,2-6,12-13H2,1H3;8-12,20-21H,3-7,13H2,1-2H3;8-12,14,21H,3-7,13H2,1-2H3;7-11,18,20H,2-6,12H2,1H3;7-9,12,17,19H,2-6,11H2,1H3;6-10,17,19,25H,3-5,11H2,1-2H3/t21-,23+;15-,21-;20-,21+;14-,21+;18-,20-;2*17-,19+/m0100100/s1.
What are the key properties of N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile?
N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile has a molecular weight of 3360.07 g/mol, XLogP of 38.90, 38 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide;1-[[7-[5-chloro-2-[(1R,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-methoxycyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[6-[(1,3-dioxoisoindol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile;3-[6-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-4-[(1R,2S)-2-fluorocyclopentyl]oxy-5-methylbenzonitrile is sourced from PubChem (CID 159736045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).