2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

C176H173Cl7F3N19O21S8 — CID 158811042

IUPAC2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCCN5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@H]1CCCC[C@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(C(F)(F)F)cccc4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)C5CC5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)COC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CSC4=O)sc23)c1OC1CCCCC1
InChIInChI=1S/C28H30ClN3O3S.C27H24ClF3N2O2S.C26H27ClN2O3S.C25H24ClN3O3S.C24H24ClN3O3S.C23H22ClN3O4S.C23H22ClN3O3S2/c1-17-13-18(29)14-22(25(17)35-19-7-3-2-4-8-19)21-10-11-30-23-15-20(36-26(21)23)16-32-27(33)24-9-5-6-12-31(24)28(32)34;1-16-12-17(28)13-21(25(16)35-18-6-3-2-4-7-18)20-10-11-32-22-14-19(36-26(20)22)15-33-23(27(29,30)31)8-5-9-24(33)34;1-15-5-3-4-6-22(15)32-25-16(2)11-17(27)12-20(25)19-9-10-28-21-13-18(33-26(19)21)14-29-23(30)7-8-24(29)31;1-13-7-14(26)8-19(22(13)32-15-5-3-2-4-6-15)21-23-20(27-12-28-21)9-16(33-23)11-29-24(30)17-10-18(17)25(29)31;1-14-9-15(25)10-18(23(14)31-16-5-3-2-4-6-16)22-24-19(26-13-27-22)11-17(32-24)12-28-20(29)7-8-21(28)30;1-13-7-14(24)8-17(21(13)31-15-5-3-2-4-6-15)20-22-18(25-12-26-20)9-16(32-22)10-27-19(28)11-30-23(27)29;1-13-7-14(24)8-17(21(13)30-15-5-3-2-4-6-15)20-22-18(25-12-26-20)9-16(32-22)10-27-19(28)11-31-23(27)29/h10-11,13-15,19,24H,2-9,12,16H2,1H3;5,8-14,18H,2-4,6-7,15H2,1H3;9-13,15,22H,3-8,14H2,1-2H3;7-9,12,15,17-18H,2-6,10-11H2,1H3;9-11,13,16H,2-8,12H2,1H3;2*7-9,12,15H,2-6,10-11H2,1H3/t;;15-,22+;;;;/m..1..../s1
InChIKeyIURNWNLDGBEVDG-RASIPASXSA-N
MW3452.13 g/mol
LogP44.30
Rot. Bonds35

About 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 158811042) has the molecular formula C176H173Cl7F3N19O21S8 and a molecular weight of 3452.13 g/mol. Its IUPAC name is 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID158811042
Molecular FormulaC176H173Cl7F3N19O21S8
Molecular Weight3452.13 g/mol
Exact Mass3445.86
IUPAC Name2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCCN5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@H]1CCCC[C@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(C(F)(F)F)cccc4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)C5CC5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)COC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CSC4=O)sc23)c1OC1CCCCC1
InChIInChI=1S/C28H30ClN3O3S.C27H24ClF3N2O2S.C26H27ClN2O3S.C25H24ClN3O3S.C24H24ClN3O3S.C23H22ClN3O4S.C23H22ClN3O3S2/c1-17-13-18(29)14-22(25(17)35-19-7-3-2-4-8-19)21-10-11-30-23-15-20(36-26(21)23)16-32-27(33)24-9-5-6-12-31(24)28(32)34;1-16-12-17(28)13-21(25(16)35-18-6-3-2-4-7-18)20-10-11-32-22-14-19(36-26(20)22)15-33-23(27(29,30)31)8-5-9-24(33)34;1-15-5-3-4-6-22(15)32-25-16(2)11-17(27)12-20(25)19-9-10-28-21-13-18(33-26(19)21)14-29-23(30)7-8-24(29)31;1-13-7-14(26)8-19(22(13)32-15-5-3-2-4-6-15)21-23-20(27-12-28-21)9-16(33-23)11-29-24(30)17-10-18(17)25(29)31;1-14-9-15(25)10-18(23(14)31-16-5-3-2-4-6-16)22-24-19(26-13-27-22)11-17(32-24)12-28-20(29)7-8-21(28)30;1-13-7-14(24)8-17(21(13)31-15-5-3-2-4-6-15)20-22-18(25-12-26-20)9-16(32-22)10-27-19(28)11-30-23(27)29;1-13-7-14(24)8-17(21(13)30-15-5-3-2-4-6-15)20-22-18(25-12-26-20)9-16(32-22)10-27-19(28)11-31-23(27)29/h10-11,13-15,19,24H,2-9,12,16H2,1H3;5,8-14,18H,2-4,6-7,15H2,1H3;9-13,15,22H,3-8,14H2,1-2H3;7-9,12,15,17-18H,2-6,10-11H2,1H3;9-11,13,16H,2-8,12H2,1H3;2*7-9,12,15H,2-6,10-11H2,1H3/t;;15-,22+;;;;/m..1..../s1
InChIKeyIURNWNLDGBEVDG-RASIPASXSA-N
XLogP44.30
TPSA465.15 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds35
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003452.13
LogP ≤ 544.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]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 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (CID 158811042) is 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CCCCN5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@H]1CCCC[C@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(C(F)(F)F)cccc4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)C5CC5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)COC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CSC4=O)sc23)c1OC1CCCCC1.
What is the InChIKey of 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is IURNWNLDGBEVDG-RASIPASXSA-N. The full InChI is InChI=1S/C28H30ClN3O3S.C27H24ClF3N2O2S.C26H27ClN2O3S.C25H24ClN3O3S.C24H24ClN3O3S.C23H22ClN3O4S.C23H22ClN3O3S2/c1-17-13-18(29)14-22(25(17)35-19-7-3-2-4-8-19)21-10-11-30-23-15-20(36-26(21)23)16-32-27(33)24-9-5-6-12-31(24)28(32)34;1-16-12-17(28)13-21(25(16)35-18-6-3-2-4-7-18)20-10-11-32-22-14-19(36-26(20)22)15-33-23(27(29,30)31)8-5-9-24(33)34;1-15-5-3-4-6-22(15)32-25-16(2)11-17(27)12-20(25)19-9-10-28-21-13-18(33-26(19)21)14-29-23(30)7-8-24(29)31;1-13-7-14(26)8-19(22(13)32-15-5-3-2-4-6-15)21-23-20(27-12-28-21)9-16(33-23)11-29-24(30)17-10-18(17)25(29)31;1-14-9-15(25)10-18(23(14)31-16-5-3-2-4-6-16)22-24-19(26-13-27-22)11-17(32-24)12-28-20(29)7-8-21(28)30;1-13-7-14(24)8-17(21(13)31-15-5-3-2-4-6-15)20-22-18(25-12-26-20)9-16(32-22)10-27-19(28)11-30-23(27)29;1-13-7-14(24)8-17(21(13)30-15-5-3-2-4-6-15)20-22-18(25-12-26-20)9-16(32-22)10-27-19(28)11-31-23(27)29/h10-11,13-15,19,24H,2-9,12,16H2,1H3;5,8-14,18H,2-4,6-7,15H2,1H3;9-13,15,22H,3-8,14H2,1-2H3;7-9,12,15,17-18H,2-6,10-11H2,1H3;9-11,13,16H,2-8,12H2,1H3;2*7-9,12,15H,2-6,10-11H2,1H3/t;;15-,22+;;;;/m..1..../s1.
What are the key properties of 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 3452.13 g/mol, XLogP of 44.30, 35 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-oxazolidine-2,4-dione;1-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;3-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1,3-thiazolidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-[(1S,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158811042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).