3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

C131H147F5N30O29S5 — CID 157167048

IUPAC3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCCO[C@@H](Cn1c(=O)n(C2CCNC2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.CCN1CCC(n2c(=O)c3c(C)c(-n4nccn4)sc3n(C[C@H](OCCOC)c3cc(F)ccc3OC)c2=O)C1=O.COCCO[C@@H](Cn1c(=O)n(C2CCN(C(C)C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n(C2CCN(C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n(C2CCNC2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC
InChIInChI=1S/C28H33FN6O6S.C27H31FN6O6S.C26H29FN6O6S.C25H27FN6O6S.C25H27FN6O5S/c1-16(2)32-11-8-20(24(32)36)34-25(37)23-17(3)26(35-30-9-10-31-35)42-27(23)33(28(34)38)15-22(41-13-12-39-4)19-14-18(29)6-7-21(19)40-5;1-5-31-11-8-19(23(31)35)33-24(36)22-16(2)25(34-29-9-10-30-34)41-26(22)32(27(33)37)15-21(40-13-12-38-3)18-14-17(28)6-7-20(18)39-4;1-15-21-23(35)32(18-7-10-30(2)22(18)34)26(36)31(25(21)40-24(15)33-28-8-9-29-33)14-20(39-12-11-37-3)17-13-16(27)5-6-19(17)38-4;1-14-20-22(34)31(17-6-7-27-21(17)33)25(35)30(24(20)39-23(14)32-28-8-9-29-32)13-19(38-11-10-36-2)16-12-15(26)4-5-18(16)37-3;1-4-11-37-19(16-12-15(26)5-6-18(16)36-3)13-30-24-20(14(2)23(38-24)32-28-9-10-29-32)22(34)31(25(30)35)17-7-8-27-21(17)33/h6-7,9-10,14,16,20,22H,8,11-13,15H2,1-5H3;6-7,9-10,14,19,21H,5,8,11-13,15H2,1-4H3;5-6,8-9,13,18,20H,7,10-12,14H2,1-4H3;4-5,8-9,12,17,19H,6-7,10-11,13H2,1-3H3,(H,27,33);5-6,9-10,12,17,19H,4,7-8,11,13H2,1-3H3,(H,27,33)/t20?,22-;19?,21-;18?,20-;2*17?,19-/m00000/s1
InChIKeyANAPOKKAYLDPBF-QOUYZBDLSA-N
MW2861.12 g/mol
LogP11.59
Rot. Bonds51

About 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 157167048) has the molecular formula C131H147F5N30O29S5 and a molecular weight of 2861.12 g/mol. Its IUPAC name is 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID157167048
Molecular FormulaC131H147F5N30O29S5
Molecular Weight2861.12 g/mol
Exact Mass2858.95
IUPAC Name3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCCO[C@@H](Cn1c(=O)n(C2CCNC2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.CCN1CCC(n2c(=O)c3c(C)c(-n4nccn4)sc3n(C[C@H](OCCOC)c3cc(F)ccc3OC)c2=O)C1=O.COCCO[C@@H](Cn1c(=O)n(C2CCN(C(C)C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n(C2CCN(C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n(C2CCNC2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC
InChIInChI=1S/C28H33FN6O6S.C27H31FN6O6S.C26H29FN6O6S.C25H27FN6O6S.C25H27FN6O5S/c1-16(2)32-11-8-20(24(32)36)34-25(37)23-17(3)26(35-30-9-10-31-35)42-27(23)33(28(34)38)15-22(41-13-12-39-4)19-14-18(29)6-7-21(19)40-5;1-5-31-11-8-19(23(31)35)33-24(36)22-16(2)25(34-29-9-10-30-34)41-26(22)32(27(33)37)15-21(40-13-12-38-3)18-14-17(28)6-7-20(18)39-4;1-15-21-23(35)32(18-7-10-30(2)22(18)34)26(36)31(25(21)40-24(15)33-28-8-9-29-33)14-20(39-12-11-37-3)17-13-16(27)5-6-19(17)38-4;1-14-20-22(34)31(17-6-7-27-21(17)33)25(35)30(24(20)39-23(14)32-28-8-9-29-32)13-19(38-11-10-36-2)16-12-15(26)4-5-18(16)37-3;1-4-11-37-19(16-12-15(26)5-6-18(16)36-3)13-30-24-20(14(2)23(38-24)32-28-9-10-29-32)22(34)31(25(30)35)17-7-8-27-21(17)33/h6-7,9-10,14,16,20,22H,8,11-13,15H2,1-5H3;6-7,9-10,14,19,21H,5,8,11-13,15H2,1-4H3;5-6,8-9,13,18,20H,7,10-12,14H2,1-4H3;4-5,8-9,12,17,19H,6-7,10-11,13H2,1-3H3,(H,27,33);5-6,9-10,12,17,19H,4,7-8,11,13H2,1-3H3,(H,27,33)/t20?,22-;19?,21-;18?,20-;2*17?,19-/m00000/s1
InChIKeyANAPOKKAYLDPBF-QOUYZBDLSA-N
XLogP11.59
TPSA621.90 Ų
H-Bond Donors2
H-Bond Acceptors59
Rotatable Bonds51
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002861.12
LogP ≤ 511.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 157167048) is 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is CCCO[C@@H](Cn1c(=O)n(C2CCNC2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.CCN1CCC(n2c(=O)c3c(C)c(-n4nccn4)sc3n(C[C@H](OCCOC)c3cc(F)ccc3OC)c2=O)C1=O.COCCO[C@@H](Cn1c(=O)n(C2CCN(C(C)C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n(C2CCN(C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n(C2CCNC2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.
What is the InChIKey of 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ANAPOKKAYLDPBF-QOUYZBDLSA-N. The full InChI is InChI=1S/C28H33FN6O6S.C27H31FN6O6S.C26H29FN6O6S.C25H27FN6O6S.C25H27FN6O5S/c1-16(2)32-11-8-20(24(32)36)34-25(37)23-17(3)26(35-30-9-10-31-35)42-27(23)33(28(34)38)15-22(41-13-12-39-4)19-14-18(29)6-7-21(19)40-5;1-5-31-11-8-19(23(31)35)33-24(36)22-16(2)25(34-29-9-10-30-34)41-26(22)32(27(33)37)15-21(40-13-12-38-3)18-14-17(28)6-7-20(18)39-4;1-15-21-23(35)32(18-7-10-30(2)22(18)34)26(36)31(25(21)40-24(15)33-28-8-9-29-33)14-20(39-12-11-37-3)17-13-16(27)5-6-19(17)38-4;1-14-20-22(34)31(17-6-7-27-21(17)33)25(35)30(24(20)39-23(14)32-28-8-9-29-32)13-19(38-11-10-36-2)16-12-15(26)4-5-18(16)37-3;1-4-11-37-19(16-12-15(26)5-6-18(16)36-3)13-30-24-20(14(2)23(38-24)32-28-9-10-29-32)22(34)31(25(30)35)17-7-8-27-21(17)33/h6-7,9-10,14,16,20,22H,8,11-13,15H2,1-5H3;6-7,9-10,14,19,21H,5,8,11-13,15H2,1-4H3;5-6,8-9,13,18,20H,7,10-12,14H2,1-4H3;4-5,8-9,12,17,19H,6-7,10-11,13H2,1-3H3,(H,27,33);5-6,9-10,12,17,19H,4,7-8,11,13H2,1-3H3,(H,27,33)/t20?,22-;19?,21-;18?,20-;2*17?,19-/m00000/s1.
What are the key properties of 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2861.12 g/mol, XLogP of 11.59, 51 rotatable bonds, 2 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2-oxopyrrolidin-3-yl)-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propoxyethyl]-5-methyl-3-(2-oxopyrrolidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 157167048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).