1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane

C186H212F5N25O33S5Si2 — CID 161108977

IUPAC1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane
SMILESC1CCOC1.C1CCOC1.COc1ccc(F)cc1[C@H](CO)OC1CCC(=O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCN(C)C2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(=O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.Cc1c(-n2cccn2)sc2[nH]c(=O)n([C@H]3CCNC3=O)c(=O)c12
InChIInChI=1S/C46H52FN5O6SSi.C45H50FN5O6SSi.C29H32FN5O6S.C29H30FN5O6S.C15H19FO4.C14H13N5O3S.2C4H8O/c1-30-40-42(54)52(37-24-27-49(5)41(37)53)45(55)50(44(40)59-43(30)51-26-13-25-48-51)29-39(36-28-31(47)18-23-38(36)56-6)57-32-19-21-33(22-20-32)58-60(46(2,3)4,34-14-9-7-10-15-34)35-16-11-8-12-17-35;1-29-39-41(53)51(36-23-25-47-40(36)52)44(54)49(43(39)58-42(29)50-26-12-24-48-50)28-38(35-27-30(46)17-22-37(35)55-5)56-31-18-20-32(21-19-31)57-59(45(2,3)4,33-13-8-6-9-14-33)34-15-10-7-11-16-34;2*1-16-24-26(38)35(21-10-12-31-25(21)37)29(39)33(28(24)42-27(16)34-13-3-11-32-34)15-23(41-19-7-5-18(36)6-8-19)20-14-17(30)4-9-22(20)40-2;1-19-14-7-2-10(16)8-13(14)15(9-17)20-12-5-3-11(18)4-6-12;1-7-9-11(23-13(7)18-6-2-4-16-18)17-14(22)19(12(9)21)8-3-5-15-10(8)20;2*1-2-4-5-3-1/h7-18,23,25-26,28,32-33,37,39H,19-22,24,27,29H2,1-6H3;6-17,22,24,26-27,31-32,36,38H,18-21,23,25,28H2,1-5H3,(H,47,52);3-4,9,11,13-14,18-19,21,23,36H,5-8,10,12,15H2,1-2H3,(H,31,37);3-4,9,11,13-14,19,21,23H,5-8,10,12,15H2,1-2H3,(H,31,37);2,7-8,12,15,17H,3-6,9H2,1H3;2,4,6,8H,3,5H2,1H3,(H,15,20)(H,17,22);2*1-4H2/t32?,33?,37-,39-;31?,32?,36-,38-;18?,19?,21-,23-;21-,23-;15-;8-;;/m000000../s1
InChIKeyUJLDZIJCASIGNZ-WHTDDVHVSA-N
MW3637.38 g/mol
LogP23.97
Rot. Bonds47

About 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane

1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane (PubChem CID 161108977) has the molecular formula C186H212F5N25O33S5Si2 and a molecular weight of 3637.38 g/mol. Its IUPAC name is 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane.

Molecular Properties

Compound Name1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane
PubChem CID161108977
Molecular FormulaC186H212F5N25O33S5Si2
Molecular Weight3637.38 g/mol
Exact Mass3634.37
IUPAC Name1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane
SMILESC1CCOC1.C1CCOC1.COc1ccc(F)cc1[C@H](CO)OC1CCC(=O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCN(C)C2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(=O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.Cc1c(-n2cccn2)sc2[nH]c(=O)n([C@H]3CCNC3=O)c(=O)c12
InChIInChI=1S/C46H52FN5O6SSi.C45H50FN5O6SSi.C29H32FN5O6S.C29H30FN5O6S.C15H19FO4.C14H13N5O3S.2C4H8O/c1-30-40-42(54)52(37-24-27-49(5)41(37)53)45(55)50(44(40)59-43(30)51-26-13-25-48-51)29-39(36-28-31(47)18-23-38(36)56-6)57-32-19-21-33(22-20-32)58-60(46(2,3)4,34-14-9-7-10-15-34)35-16-11-8-12-17-35;1-29-39-41(53)51(36-23-25-47-40(36)52)44(54)49(43(39)58-42(29)50-26-12-24-48-50)28-38(35-27-30(46)17-22-37(35)55-5)56-31-18-20-32(21-19-31)57-59(45(2,3)4,33-13-8-6-9-14-33)34-15-10-7-11-16-34;2*1-16-24-26(38)35(21-10-12-31-25(21)37)29(39)33(28(24)42-27(16)34-13-3-11-32-34)15-23(41-19-7-5-18(36)6-8-19)20-14-17(30)4-9-22(20)40-2;1-19-14-7-2-10(16)8-13(14)15(9-17)20-12-5-3-11(18)4-6-12;1-7-9-11(23-13(7)18-6-2-4-16-18)17-14(22)19(12(9)21)8-3-5-15-10(8)20;2*1-2-4-5-3-1/h7-18,23,25-26,28,32-33,37,39H,19-22,24,27,29H2,1-6H3;6-17,22,24,26-27,31-32,36,38H,18-21,23,25,28H2,1-5H3,(H,47,52);3-4,9,11,13-14,18-19,21,23,36H,5-8,10,12,15H2,1-2H3,(H,31,37);3-4,9,11,13-14,19,21,23H,5-8,10,12,15H2,1-2H3,(H,31,37);2,7-8,12,15,17H,3-6,9H2,1H3;2,4,6,8H,3,5H2,1H3,(H,15,20)(H,17,22);2*1-4H2/t32?,33?,37-,39-;31?,32?,36-,38-;18?,19?,21-,23-;21-,23-;15-;8-;;/m000000../s1
InChIKeyUJLDZIJCASIGNZ-WHTDDVHVSA-N
XLogP23.97
TPSA660.49 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds47
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003637.38
LogP ≤ 523.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Analyze 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane with MolForge

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Related Compounds

1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methylphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione
CID 159234175
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-methylcyclohexyl)oxyethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione
CID 159791151
1-[2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129139927
1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione
CID 129080247
1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione
CID 146217445
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione
CID 129080354
6-bromo-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129101093
1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-2-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 158428025
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methylcyclobutyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 148900709
1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 146217441
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129101228
2-[1-[(2R)-2-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-pyrazol-1-ylthieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide
CID 129182558

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane?
The IUPAC name of 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane (CID 161108977) is 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane.
What is the SMILES notation for 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane?
The canonical SMILES for 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane is C1CCOC1.C1CCOC1.COc1ccc(F)cc1[C@H](CO)OC1CCC(=O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCN(C)C2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(=O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@H]2CCNC2=O)c(=O)c2c(C)c(-n3cccn3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.Cc1c(-n2cccn2)sc2[nH]c(=O)n([C@H]3CCNC3=O)c(=O)c12.
What is the InChIKey of 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane?
The InChIKey is UJLDZIJCASIGNZ-WHTDDVHVSA-N. The full InChI is InChI=1S/C46H52FN5O6SSi.C45H50FN5O6SSi.C29H32FN5O6S.C29H30FN5O6S.C15H19FO4.C14H13N5O3S.2C4H8O/c1-30-40-42(54)52(37-24-27-49(5)41(37)53)45(55)50(44(40)59-43(30)51-26-13-25-48-51)29-39(36-28-31(47)18-23-38(36)56-6)57-32-19-21-33(22-20-32)58-60(46(2,3)4,34-14-9-7-10-15-34)35-16-11-8-12-17-35;1-29-39-41(53)51(36-23-25-47-40(36)52)44(54)49(43(39)58-42(29)50-26-12-24-48-50)28-38(35-27-30(46)17-22-37(35)55-5)56-31-18-20-32(21-19-31)57-59(45(2,3)4,33-13-8-6-9-14-33)34-15-10-7-11-16-34;2*1-16-24-26(38)35(21-10-12-31-25(21)37)29(39)33(28(24)42-27(16)34-13-3-11-32-34)15-23(41-19-7-5-18(36)6-8-19)20-14-17(30)4-9-22(20)40-2;1-19-14-7-2-10(16)8-13(14)15(9-17)20-12-5-3-11(18)4-6-12;1-7-9-11(23-13(7)18-6-2-4-16-18)17-14(22)19(12(9)21)8-3-5-15-10(8)20;2*1-2-4-5-3-1/h7-18,23,25-26,28,32-33,37,39H,19-22,24,27,29H2,1-6H3;6-17,22,24,26-27,31-32,36,38H,18-21,23,25,28H2,1-5H3,(H,47,52);3-4,9,11,13-14,18-19,21,23,36H,5-8,10,12,15H2,1-2H3,(H,31,37);3-4,9,11,13-14,19,21,23H,5-8,10,12,15H2,1-2H3,(H,31,37);2,7-8,12,15,17H,3-6,9H2,1H3;2,4,6,8H,3,5H2,1H3,(H,15,20)(H,17,22);2*1-4H2/t32?,33?,37-,39-;31?,32?,36-,38-;18?,19?,21-,23-;21-,23-;15-;8-;;/m000000../s1.
What are the key properties of 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane?
1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane has a molecular weight of 3637.38 g/mol, XLogP of 23.97, 47 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexan-1-one;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-oxocyclohexyl)oxyethyl]-5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione;oxolane is sourced from PubChem (CID 161108977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).