3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C165H155Cl6F19N20O18S6 — CID 158377705

IUPAC3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1(C)CCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(N2CCCCC2)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@@]1(C)F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@H]1CNCC[C@H]1C
InChIInChI=1S/C30H30ClF3N4O3S.C28H26ClF4N3O3S.C28H27ClF3N3O3S.C27H26ClF3N4O3S.2C26H23ClF3N3O3S/c1-18-11-19(31)12-24(27(18)41-21-13-20(14-21)36-8-3-2-4-9-36)23-5-7-35-25-15-22(42-28(23)25)16-38-26(39)6-10-37(29(38)40)17-30(32,33)34;1-16-11-17(29)12-20(24(16)39-22-5-3-4-8-27(22,2)30)19-6-9-34-21-13-18(40-25(19)21)14-36-23(37)7-10-35(26(36)38)15-28(31,32)33;1-16-5-3-4-6-23(16)38-25-17(2)11-18(29)12-21(25)20-7-9-33-22-13-19(39-26(20)22)14-35-24(36)8-10-34(27(35)37)15-28(30,31)32;1-15-3-6-32-12-22(15)38-24-16(2)9-17(28)10-20(24)19-4-7-33-21-11-18(39-25(19)21)13-35-23(36)5-8-34(26(35)37)14-27(29,30)31;1-15-10-16(27)11-19(22(15)36-25(2)6-3-7-25)18-4-8-31-20-12-17(37-23(18)20)13-33-21(34)5-9-32(24(33)35)14-26(28,29)30;1-14-7-17(8-14)36-23-15(2)9-16(27)10-20(23)19-3-5-31-21-11-18(37-24(19)21)12-33-22(34)4-6-32(25(33)35)13-26(28,29)30/h5-7,10-12,15,20-21H,2-4,8-9,13-14,16-17H2,1H3;6-7,9-13,22H,3-5,8,14-15H2,1-2H3;7-13,16,23H,3-6,14-15H2,1-2H3;4-5,7-11,15,22,32H,3,6,12-14H2,1-2H3;4-5,8-12H,3,6-7,13-14H2,1-2H3;3-6,9-11,14,17H,7-8,12-13H2,1-2H3/t;22-,27-;16-,23-;15-,22+;;/m.111../s1
InChIKeyGVKCVLNWBWVOMD-QBSQSZPISA-N
MW3472.26 g/mol
LogP37.43
Rot. Bonds37

About 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 158377705) has the molecular formula C165H155Cl6F19N20O18S6 and a molecular weight of 3472.26 g/mol. Its IUPAC name is 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID158377705
Molecular FormulaC165H155Cl6F19N20O18S6
Molecular Weight3472.26 g/mol
Exact Mass3466.80
IUPAC Name3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1(C)CCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(N2CCCCC2)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@@]1(C)F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@H]1CNCC[C@H]1C
InChIInChI=1S/C30H30ClF3N4O3S.C28H26ClF4N3O3S.C28H27ClF3N3O3S.C27H26ClF3N4O3S.2C26H23ClF3N3O3S/c1-18-11-19(31)12-24(27(18)41-21-13-20(14-21)36-8-3-2-4-9-36)23-5-7-35-25-15-22(42-28(23)25)16-38-26(39)6-10-37(29(38)40)17-30(32,33)34;1-16-11-17(29)12-20(24(16)39-22-5-3-4-8-27(22,2)30)19-6-9-34-21-13-18(40-25(19)21)14-36-23(37)7-10-35(26(36)38)15-28(31,32)33;1-16-5-3-4-6-23(16)38-25-17(2)11-18(29)12-21(25)20-7-9-33-22-13-19(39-26(20)22)14-35-24(36)8-10-34(27(35)37)15-28(30,31)32;1-15-3-6-32-12-22(15)38-24-16(2)9-17(28)10-20(24)19-4-7-33-21-11-18(39-25(19)21)13-35-23(36)5-8-34(26(35)37)14-27(29,30)31;1-15-10-16(27)11-19(22(15)36-25(2)6-3-7-25)18-4-8-31-20-12-17(37-23(18)20)13-33-21(34)5-9-32(24(33)35)14-26(28,29)30;1-14-7-17(8-14)36-23-15(2)9-16(27)10-20(23)19-3-5-31-21-11-18(37-24(19)21)12-33-22(34)4-6-32(25(33)35)13-26(28,29)30/h5-7,10-12,15,20-21H,2-4,8-9,13-14,16-17H2,1H3;6-7,9-13,22H,3-5,8,14-15H2,1-2H3;7-13,16,23H,3-6,14-15H2,1-2H3;4-5,7-11,15,22,32H,3,6,12-14H2,1-2H3;4-5,8-12H,3,6-7,13-14H2,1-2H3;3-6,9-11,14,17H,7-8,12-13H2,1-2H3/t;22-,27-;16-,23-;15-,22+;;/m.111../s1
InChIKeyGVKCVLNWBWVOMD-QBSQSZPISA-N
XLogP37.43
TPSA411.99 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds37
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003472.26
LogP ≤ 537.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[[7-[5-chloro-3-methyl-2-[(3S,4R)-3-methylpiperidin-4-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138610213
3-[[7-[5-chloro-3-methyl-2-[(3S,4R)-4-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609706
3-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-fluoro-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609726
3-[[7-[5-chloro-3-methyl-2-[3-[(3R)-3-methylmorpholin-4-yl]cyclobutyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609731
3-[[7-[5-chloro-2-[(4R)-4-fluoro-4-methylpiperidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609738
3-[[7-[5-chloro-2-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 138609753
3-[[7-[5-chloro-3-methyl-2-[(2R,3R)-2-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609758
3-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 138609765
3-[[7-[5-chloro-3-methyl-2-[(3S,4R)-3-methylpiperidin-4-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5-fluoro-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609768
3-[[7-[5-chloro-2-[3-[(2S)-2-(methoxymethyl)-1-methylpyrrolidin-1-ium-1-yl]cyclobutyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609774
3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609779
3-[[7-[2-[[(4aS,6S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-6-yl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138609792

Frequently Asked Questions

What is the IUPAC name of 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 158377705) is 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1(C)CCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(N2CCCCC2)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@@]1(C)F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@H]1C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@H]1CNCC[C@H]1C.
What is the InChIKey of 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is GVKCVLNWBWVOMD-QBSQSZPISA-N. The full InChI is InChI=1S/C30H30ClF3N4O3S.C28H26ClF4N3O3S.C28H27ClF3N3O3S.C27H26ClF3N4O3S.2C26H23ClF3N3O3S/c1-18-11-19(31)12-24(27(18)41-21-13-20(14-21)36-8-3-2-4-9-36)23-5-7-35-25-15-22(42-28(23)25)16-38-26(39)6-10-37(29(38)40)17-30(32,33)34;1-16-11-17(29)12-20(24(16)39-22-5-3-4-8-27(22,2)30)19-6-9-34-21-13-18(40-25(19)21)14-36-23(37)7-10-35(26(36)38)15-28(31,32)33;1-16-5-3-4-6-23(16)38-25-17(2)11-18(29)12-21(25)20-7-9-33-22-13-19(39-26(20)22)14-35-24(36)8-10-34(27(35)37)15-28(30,31)32;1-15-3-6-32-12-22(15)38-24-16(2)9-17(28)10-20(24)19-4-7-33-21-11-18(39-25(19)21)13-35-23(36)5-8-34(26(35)37)14-27(29,30)31;1-15-10-16(27)11-19(22(15)36-25(2)6-3-7-25)18-4-8-31-20-12-17(37-23(18)20)13-33-21(34)5-9-32(24(33)35)14-26(28,29)30;1-14-7-17(8-14)36-23-15(2)9-16(27)10-20(23)19-3-5-31-21-11-18(37-24(19)21)12-33-22(34)4-6-32(25(33)35)13-26(28,29)30/h5-7,10-12,15,20-21H,2-4,8-9,13-14,16-17H2,1H3;6-7,9-13,22H,3-5,8,14-15H2,1-2H3;7-13,16,23H,3-6,14-15H2,1-2H3;4-5,7-11,15,22,32H,3,6,12-14H2,1-2H3;4-5,8-12H,3,6-7,13-14H2,1-2H3;3-6,9-11,14,17H,7-8,12-13H2,1-2H3/t;22-,27-;16-,23-;15-,22+;;/m.111../s1.
What are the key properties of 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 3472.26 g/mol, XLogP of 37.43, 37 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[5-chloro-2-[(1R,2R)-2-fluoro-2-methylcyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(1-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-piperidin-1-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 158377705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).