3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

C174H157Cl7F13N21O19S7 — CID 157228866

IUPAC3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4C(F)(F)F)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCNC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)c5ccccc5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(Cn4c(C(F)(F)F)cccc4=O)sc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C27H21ClFN3O3S.C25H20ClF4N3O2S.C25H23ClF4N2O2S.C25H25ClFN3O3S.C25H23ClFN3O3S.C24H23ClFN3O3S.C23H22ClFN4O3S/c1-14-9-15(28)10-19(24(14)35-22-8-4-7-20(22)29)23-25-21(30-13-31-23)11-16(36-25)12-32-26(33)17-5-2-3-6-18(17)27(32)34;1-13-8-14(26)9-16(23(13)35-19-5-2-4-17(19)27)22-24-18(31-12-32-22)10-15(36-24)11-33-20(25(28,29)30)6-3-7-21(33)34;1-13-9-14(26)10-17(23(13)34-20-4-2-3-18(20)27)16-7-8-31-19-11-15(35-24(16)19)12-32-21(25(28,29)30)5-6-22(32)33;2*1-14-10-15(26)11-18(23(14)33-21-5-3-4-19(21)27)17-6-8-28-20-12-16(34-24(17)20)13-30-22(31)7-9-29(2)25(30)32;1-13-9-14(25)10-17(22(13)32-20-4-2-3-18(20)26)16-5-7-27-19-11-15(33-23(16)19)12-29-21(30)6-8-28-24(29)31;1-12-6-13(24)7-15(21(12)32-18-5-3-4-16(18)25)20-22-17(26-11-27-20)8-14(33-22)9-29-19(30)10-28(2)23(29)31/h2-3,5-6,9-11,13,20,22H,4,7-8,12H2,1H3;3,6-10,12,17,19H,2,4-5,11H2,1H3;7-11,18,20-21H,2-6,12H2,1H3;6,8,10-12,19,21H,3-5,7,9,13H2,1-2H3;6-12,19,21H,3-5,13H2,1-2H3;5,7,9-11,18,20H,2-4,6,8,12H2,1H3,(H,28,31);6-8,11,16,18H,3-5,9-10H2,1-2H3/t20-,22+;17-,19+;18-,20+,21?;2*19-,21+;18-,20+;16-,18+/m0000000/s1
InChIKeyATWJLLCYWWJOMK-CVRLOQLDSA-N
MW3565.91 g/mol
LogP42.15
Rot. Bonds35

About 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 157228866) has the molecular formula C174H157Cl7F13N21O19S7 and a molecular weight of 3565.91 g/mol. Its IUPAC name is 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID157228866
Molecular FormulaC174H157Cl7F13N21O19S7
Molecular Weight3565.91 g/mol
Exact Mass3559.76
IUPAC Name3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4C(F)(F)F)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCNC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)c5ccccc5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(Cn4c(C(F)(F)F)cccc4=O)sc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C27H21ClFN3O3S.C25H20ClF4N3O2S.C25H23ClF4N2O2S.C25H25ClFN3O3S.C25H23ClFN3O3S.C24H23ClFN3O3S.C23H22ClFN4O3S/c1-14-9-15(28)10-19(24(14)35-22-8-4-7-20(22)29)23-25-21(30-13-31-23)11-16(36-25)12-32-26(33)17-5-2-3-6-18(17)27(32)34;1-13-8-14(26)9-16(23(13)35-19-5-2-4-17(19)27)22-24-18(31-12-32-22)10-15(36-24)11-33-20(25(28,29)30)6-3-7-21(33)34;1-13-9-14(26)10-17(23(13)34-20-4-2-3-18(20)27)16-7-8-31-19-11-15(35-24(16)19)12-32-21(25(28,29)30)5-6-22(32)33;2*1-14-10-15(26)11-18(23(14)33-21-5-3-4-19(21)27)17-6-8-28-20-12-16(34-24(17)20)13-30-22(31)7-9-29(2)25(30)32;1-13-9-14(25)10-17(22(13)32-20-4-2-3-18(20)26)16-5-7-27-19-11-15(33-23(16)19)12-29-21(30)6-8-28-24(29)31;1-12-6-13(24)7-15(21(12)32-18-5-3-4-16(18)25)20-22-17(26-11-27-20)8-14(33-22)9-29-19(30)10-28(2)23(29)31/h2-3,5-6,9-11,13,20,22H,4,7-8,12H2,1H3;3,6-10,12,17,19H,2,4-5,11H2,1H3;7-11,18,20-21H,2-6,12H2,1H3;6,8,10-12,19,21H,3-5,7,9,13H2,1-2H3;6-12,19,21H,3-5,13H2,1-2H3;5,7,9-11,18,20H,2-4,6,8,12H2,1H3,(H,28,31);6-8,11,16,18H,3-5,9-10H2,1-2H3/t20-,22+;17-,19+;18-,20+,21?;2*19-,21+;18-,20+;16-,18+/m0000000/s1
InChIKeyATWJLLCYWWJOMK-CVRLOQLDSA-N
XLogP42.15
TPSA447.85 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003565.91
LogP ≤ 542.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (CID 157228866) is 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4C(F)(F)F)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCNC4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CN(C)C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)c5ccccc5C4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ncnc3cc(Cn4c(C(F)(F)F)cccc4=O)sc23)c1O[C@@H]1CCC[C@@H]1F.
What is the InChIKey of 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is ATWJLLCYWWJOMK-CVRLOQLDSA-N. The full InChI is InChI=1S/C27H21ClFN3O3S.C25H20ClF4N3O2S.C25H23ClF4N2O2S.C25H25ClFN3O3S.C25H23ClFN3O3S.C24H23ClFN3O3S.C23H22ClFN4O3S/c1-14-9-15(28)10-19(24(14)35-22-8-4-7-20(22)29)23-25-21(30-13-31-23)11-16(36-25)12-32-26(33)17-5-2-3-6-18(17)27(32)34;1-13-8-14(26)9-16(23(13)35-19-5-2-4-17(19)27)22-24-18(31-12-32-22)10-15(36-24)11-33-20(25(28,29)30)6-3-7-21(33)34;1-13-9-14(26)10-17(23(13)34-20-4-2-3-18(20)27)16-7-8-31-19-11-15(35-24(16)19)12-32-21(25(28,29)30)5-6-22(32)33;2*1-14-10-15(26)11-18(23(14)33-21-5-3-4-19(21)27)17-6-8-28-20-12-16(34-24(17)20)13-30-22(31)7-9-29(2)25(30)32;1-13-9-14(25)10-17(22(13)32-20-4-2-3-18(20)26)16-5-7-27-19-11-15(33-23(16)19)12-29-21(30)6-8-28-24(29)31;1-12-6-13(24)7-15(21(12)32-18-5-3-4-16(18)25)20-22-17(26-11-27-20)8-14(33-22)9-29-19(30)10-28(2)23(29)31/h2-3,5-6,9-11,13,20,22H,4,7-8,12H2,1H3;3,6-10,12,17,19H,2,4-5,11H2,1H3;7-11,18,20-21H,2-6,12H2,1H3;6,8,10-12,19,21H,3-5,7,9,13H2,1-2H3;6-12,19,21H,3-5,13H2,1-2H3;5,7,9-11,18,20H,2-4,6,8,12H2,1H3,(H,28,31);6-8,11,16,18H,3-5,9-10H2,1-2H3/t20-,22+;17-,19+;18-,20+,21?;2*19-,21+;18-,20+;16-,18+/m0000000/s1.
What are the key properties of 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 3565.91 g/mol, XLogP of 42.15, 35 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione;3-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one;2-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]isoindole-1,3-dione;3-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylimidazolidine-2,4-dione;1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157228866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).