1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane

C158H180F4N16O30S4Si2 — CID 157487786

IUPAC1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane
SMILESC1CCOC1.C1CCOC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)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(-c3ncco3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C46H51FN4O7SSi.C45H49FN4O7SSi.C30H33FN4O7S.C29H31FN4O7S.2C4H8O/c1-29-39-43(53)51(36-23-25-49(5)42(36)52)45(54)50(44(39)59-40(29)41-48-24-26-56-41)28-38(35-27-30(47)17-22-37(35)55-6)57-31-18-20-32(21-19-31)58-60(46(2,3)4,33-13-9-7-10-14-33)34-15-11-8-12-16-34;1-28-38-42(52)50(35-22-23-47-40(35)51)44(53)49(43(38)58-39(28)41-48-24-25-55-41)27-37(34-26-29(46)16-21-36(34)54-5)56-30-17-19-31(20-18-30)57-59(45(2,3)4,32-12-8-6-9-13-32)33-14-10-7-11-15-33;1-16-24-28(38)35(21-10-12-33(2)27(21)37)30(39)34(29(24)43-25(16)26-32-11-13-41-26)15-23(42-19-7-5-18(36)6-8-19)20-14-17(31)4-9-22(20)40-3;1-15-23-27(37)34(20-9-10-31-25(20)36)29(38)33(28(23)42-24(15)26-32-11-12-40-26)14-22(41-18-6-4-17(35)5-7-18)19-13-16(30)3-8-21(19)39-2;2*1-2-4-5-3-1/h7-17,22,24,26-27,31-32,36,38H,18-21,23,25,28H2,1-6H3;6-16,21,24-26,30-31,35,37H,17-20,22-23,27H2,1-5H3,(H,47,51);4,9,11,13-14,18-19,21,23,36H,5-8,10,12,15H2,1-3H3;3,8,11-13,17-18,20,22,35H,4-7,9-10,14H2,1-2H3,(H,31,36);2*1-4H2/t31?,32?,36-,38+;30?,31?,35-,37+;18?,19?,21-,23+;17?,18?,20-,22+;;/m1111../s1
InChIKeyBWXMOKWXUNQRCE-KWNBJSGSSA-N
MW3043.69 g/mol
LogP23.28
Rot. Bonds40

About 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane (PubChem CID 157487786) has the molecular formula C158H180F4N16O30S4Si2 and a molecular weight of 3043.69 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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane
PubChem CID157487786
Molecular FormulaC158H180F4N16O30S4Si2
Molecular Weight3043.69 g/mol
Exact Mass3041.14
IUPAC Name1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane
SMILESC1CCOC1.C1CCOC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)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(-c3ncco3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C46H51FN4O7SSi.C45H49FN4O7SSi.C30H33FN4O7S.C29H31FN4O7S.2C4H8O/c1-29-39-43(53)51(36-23-25-49(5)42(36)52)45(54)50(44(39)59-40(29)41-48-24-26-56-41)28-38(35-27-30(47)17-22-37(35)55-6)57-31-18-20-32(21-19-31)58-60(46(2,3)4,33-13-9-7-10-14-33)34-15-11-8-12-16-34;1-28-38-42(52)50(35-22-23-47-40(35)51)44(53)49(43(38)58-39(28)41-48-24-25-55-41)27-37(34-26-29(46)16-21-36(34)54-5)56-30-17-19-31(20-18-30)57-59(45(2,3)4,32-12-8-6-9-13-32)33-14-10-7-11-15-33;1-16-24-28(38)35(21-10-12-33(2)27(21)37)30(39)34(29(24)43-25(16)26-32-11-13-41-26)15-23(42-19-7-5-18(36)6-8-19)20-14-17(31)4-9-22(20)40-3;1-15-23-27(37)34(20-9-10-31-25(20)36)29(38)33(28(23)42-24(15)26-32-11-12-40-26)14-22(41-18-6-4-17(35)5-7-18)19-13-16(30)3-8-21(19)39-2;2*1-2-4-5-3-1/h7-17,22,24,26-27,31-32,36,38H,18-21,23,25,28H2,1-6H3;6-16,21,24-26,30-31,35,37H,17-20,22-23,27H2,1-5H3,(H,47,51);4,9,11,13-14,18-19,21,23,36H,5-8,10,12,15H2,1-3H3;3,8,11-13,17-18,20,22,35H,4-7,9-10,14H2,1-2H3,(H,31,36);2*1-4H2/t31?,32?,36-,38+;30?,31?,35-,37+;18?,19?,21-,23+;17?,18?,20-,22+;;/m1111../s1
InChIKeyBWXMOKWXUNQRCE-KWNBJSGSSA-N
XLogP23.28
TPSA530.16 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds40
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.69
LogP ≤ 523.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

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

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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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane (CID 157487786) is 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane is C1CCOC1.C1CCOC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)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(-c3ncco3)sc21)OC1CCC(O)CC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@@H]2CCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 1-[(2R)-2-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]oxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane?
The InChIKey is BWXMOKWXUNQRCE-KWNBJSGSSA-N. The full InChI is InChI=1S/C46H51FN4O7SSi.C45H49FN4O7SSi.C30H33FN4O7S.C29H31FN4O7S.2C4H8O/c1-29-39-43(53)51(36-23-25-49(5)42(36)52)45(54)50(44(39)59-40(29)41-48-24-26-56-41)28-38(35-27-30(47)17-22-37(35)55-6)57-31-18-20-32(21-19-31)58-60(46(2,3)4,33-13-9-7-10-14-33)34-15-11-8-12-16-34;1-28-38-42(52)50(35-22-23-47-40(35)51)44(53)49(43(38)58-39(28)41-48-24-25-55-41)27-37(34-26-29(46)16-21-36(34)54-5)56-30-17-19-31(20-18-30)57-59(45(2,3)4,32-12-8-6-9-13-32)33-14-10-7-11-15-33;1-16-24-28(38)35(21-10-12-33(2)27(21)37)30(39)34(29(24)43-25(16)26-32-11-13-41-26)15-23(42-19-7-5-18(36)6-8-19)20-14-17(31)4-9-22(20)40-3;1-15-23-27(37)34(20-9-10-31-25(20)36)29(38)33(28(23)42-24(15)26-32-11-12-40-26)14-22(41-18-6-4-17(35)5-7-18)19-13-16(30)3-8-21(19)39-2;2*1-2-4-5-3-1/h7-17,22,24,26-27,31-32,36,38H,18-21,23,25,28H2,1-6H3;6-16,21,24-26,30-31,35,37H,17-20,22-23,27H2,1-5H3,(H,47,51);4,9,11,13-14,18-19,21,23,36H,5-8,10,12,15H2,1-3H3;3,8,11-13,17-18,20,22,35H,4-7,9-10,14H2,1-2H3,(H,31,36);2*1-4H2/t31?,32?,36-,38+;30?,31?,35-,37+;18?,19?,21-,23+;17?,18?,20-,22+;;/m1111../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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane has a molecular weight of 3043.69 g/mol, XLogP of 23.28, 40 rotatable bonds, 4 hydrogen bond donors, and 46 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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[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-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;oxolane is sourced from PubChem (CID 157487786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).