1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione

C146H164F2N20O30S5 — CID 159197426

IUPAC1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCCO[C@@H](Cn1c(=O)n([C@@H]2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.CCCO[C@@H](Cn1c(=O)n([C@H]2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.COc1ccc(F)cc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n(C2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1
InChIInChI=1S/C31H35FN4O6S.C31H36N4O6S.C30H33FN4O6S.2C27H30N4O6S/c1-18-25-29(38)36(22-10-7-14-34(2)28(22)37)31(39)35(30(25)43-26(18)27-33-13-15-41-27)17-24(42-20-8-5-4-6-9-20)21-16-19(32)11-12-23(21)40-3;1-19-25-29(37)35(22-13-9-16-33(2)28(22)36)31(38)34(30(25)42-26(19)27-32-15-17-40-27)18-24(41-20-10-5-4-6-11-20)21-12-7-8-14-23(21)39-3;1-17-24-28(37)35(21-9-6-12-32-26(21)36)30(38)34(29(24)42-25(17)27-33-13-14-40-27)16-23(41-19-7-4-3-5-8-19)20-15-18(31)10-11-22(20)39-2;2*1-4-13-36-20(17-8-5-6-10-19(17)35-3)15-30-26-21(16(2)22(38-26)24-29-12-14-37-24)25(33)31(27(30)34)18-9-7-11-28-23(18)32/h11-13,15-16,20,22,24H,4-10,14,17H2,1-3H3;7-8,12,14-15,17,20,22,24H,4-6,9-11,13,16,18H2,1-3H3;10-11,13-15,19,21,23H,3-9,12,16H2,1-2H3,(H,32,36);2*5-6,8,10,12,14,18,20H,4,7,9,11,13,15H2,1-3H3,(H,28,32)/t2*22?,24-;21?,23-;18-,20+;18-,20-/m00010/s1
InChIKeyKOVPANDGGUAEOP-SDZCUCQPSA-N
MW2877.36 g/mol
LogP22.81
Rot. Bonds42

About 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione

1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 159197426) has the molecular formula C146H164F2N20O30S5 and a molecular weight of 2877.36 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID159197426
Molecular FormulaC146H164F2N20O30S5
Molecular Weight2877.36 g/mol
Exact Mass2875.05
IUPAC Name1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCCO[C@@H](Cn1c(=O)n([C@@H]2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.CCCO[C@@H](Cn1c(=O)n([C@H]2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.COc1ccc(F)cc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n(C2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1
InChIInChI=1S/C31H35FN4O6S.C31H36N4O6S.C30H33FN4O6S.2C27H30N4O6S/c1-18-25-29(38)36(22-10-7-14-34(2)28(22)37)31(39)35(30(25)43-26(18)27-33-13-15-41-27)17-24(42-20-8-5-4-6-9-20)21-16-19(32)11-12-23(21)40-3;1-19-25-29(37)35(22-13-9-16-33(2)28(22)36)31(38)34(30(25)42-26(19)27-32-15-17-40-27)18-24(41-20-10-5-4-6-11-20)21-12-7-8-14-23(21)39-3;1-17-24-28(37)35(21-9-6-12-32-26(21)36)30(38)34(29(24)42-25(17)27-33-13-14-40-27)16-23(41-19-7-4-3-5-8-19)20-15-18(31)10-11-22(20)39-2;2*1-4-13-36-20(17-8-5-6-10-19(17)35-3)15-30-26-21(16(2)22(38-26)24-29-12-14-37-24)25(33)31(27(30)34)18-9-7-11-28-23(18)32/h11-13,15-16,20,22,24H,4-10,14,17H2,1-3H3;7-8,12,14-15,17,20,22,24H,4-6,9-11,13,16,18H2,1-3H3;10-11,13-15,19,21,23H,3-9,12,16H2,1-2H3,(H,32,36);2*5-6,8,10,12,14,18,20H,4,7,9,11,13,15H2,1-3H3,(H,28,32)/t2*22?,24-;21?,23-;18-,20+;18-,20-/m00010/s1
InChIKeyKOVPANDGGUAEOP-SDZCUCQPSA-N
XLogP22.81
TPSA570.37 Ų
H-Bond Donors3
H-Bond Acceptors50
Rotatable Bonds42
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002877.36
LogP ≤ 522.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1050

Analyze 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

2-[1-[(2R)-2-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide
CID 89557891
2-[1-[(2S)-2-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide
CID 89557892
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129080277
1-[2-(5-Fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129080279
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129080298
1-[2-(5-Fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129080302
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(4-hydroxycyclohexyl)oxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 129080314
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129080363
1-[2-(5-Fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129080365
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 129080402
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 129080403
1-[2-(5-Fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129080405

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione (CID 159197426) is 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione is CCCO[C@@H](Cn1c(=O)n([C@@H]2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.CCCO[C@@H](Cn1c(=O)n([C@H]2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.COc1ccc(F)cc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccc(F)cc1[C@H](Cn1c(=O)n(C2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.
What is the InChIKey of 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KOVPANDGGUAEOP-SDZCUCQPSA-N. The full InChI is InChI=1S/C31H35FN4O6S.C31H36N4O6S.C30H33FN4O6S.2C27H30N4O6S/c1-18-25-29(38)36(22-10-7-14-34(2)28(22)37)31(39)35(30(25)43-26(18)27-33-13-15-41-27)17-24(42-20-8-5-4-6-9-20)21-16-19(32)11-12-23(21)40-3;1-19-25-29(37)35(22-13-9-16-33(2)28(22)36)31(38)34(30(25)42-26(19)27-32-15-17-40-27)18-24(41-20-10-5-4-6-11-20)21-12-7-8-14-23(21)39-3;1-17-24-28(37)35(21-9-6-12-32-26(21)36)30(38)34(29(24)42-25(17)27-33-13-14-40-27)16-23(41-19-7-4-3-5-8-19)20-15-18(31)10-11-22(20)39-2;2*1-4-13-36-20(17-8-5-6-10-19(17)35-3)15-30-26-21(16(2)22(38-26)24-29-12-14-37-24)25(33)31(27(30)34)18-9-7-11-28-23(18)32/h11-13,15-16,20,22,24H,4-10,14,17H2,1-3H3;7-8,12,14-15,17,20,22,24H,4-6,9-11,13,16,18H2,1-3H3;10-11,13-15,19,21,23H,3-9,12,16H2,1-2H3,(H,32,36);2*5-6,8,10,12,14,18,20H,4,7,9,11,13,15H2,1-3H3,(H,28,32)/t2*22?,24-;21?,23-;18-,20+;18-,20-/m00010/s1.
What are the key properties of 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?
1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2877.36 g/mol, XLogP of 22.81, 42 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-propoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[(3R)-2-oxopiperidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159197426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).