2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

C151H126F23N31O23S6 — CID 165009181

About 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (PubChem CID 165009181) has the molecular formula C151H126F23N31O23S6 and a molecular weight of 3372.22 g/mol. Its IUPAC name is 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
• PubChem CID: 165009181
• Molecular Formula: C151H126F23N31O23S6
• Molecular Weight: 3372.22 g/mol
• Exact Mass: 3369.76
• IUPAC Name: 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
• SMILES: CCC(=O)COc1c(CC)nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c1=O.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1O.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCC(N)=O.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCCO.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCCOC.CCc1nc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCCO
• InChI: InChI=1S/C27H23F4N5O4S.C26H23F4N5O4S.C25H20F4N6O4S.C25H21F4N5O4S.C25H22F3N5O4S.C23H17F4N5O3S/c1-5-17(37)13-40-21-20(6-2)33-22-19(28)10-16(12-34(22)23(21)38)36-25(41)35(24(39)26(36,3)4)15-8-7-14(11-32)18(9-15)27(29,30)31;1-5-19-20(39-9-8-38-4)22(36)33-13-16(11-18(27)21(33)32-19)35-24(40)34(23(37)25(35,2)3)15-7-6-14(12-31)17(10-15)26(28,29)30;1-4-17-19(39-11-18(31)36)21(37)33-10-14(8-16(26)20(33)32-17)35-23(40)34(22(38)24(35,2)3)13-6-5-12(9-30)15(7-13)25(27,28)29;1-4-18-19(38-8-7-35)21(36)32-12-15(10-17(26)20(32)31-18)34-23(39)33(22(37)24(34,2)3)14-6-5-13(11-30)16(9-14)25(27,28)29;1-4-18-20(37-10-9-34)21(35)31-13-16(7-8-19(31)30-18)33-23(38)32(22(36)24(33,2)3)15-6-5-14(12-29)17(11-15)25(26,27)28;1-4-16-17(33)19(34)30-10-13(8-15(24)18(30)29-16)32-21(36)31(20(35)22(32,2)3)12-6-5-11(9-28)14(7-12)23(25,26)27/h7-10,12H,5-6,13H2,1-4H3;6-7,10-11,13H,5,8-9H2,1-4H3;5-8,10H,4,11H2,1-3H3,(H2,31,36);5-6,9-10,12,35H,4,7-8H2,1-3H3;5-8,11,13,34H,4,9-10H2,1-3H3;5-8,10,33H,4H2,1-3H3
• InChIKey: JKVQBZDLUZTTOX-UHFFFAOYSA-N
• XLogP: 22.77
• TPSA: 666.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3372.22
LogP ≤ 5	22.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

The IUPAC name of 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (CID 165009181) is 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.

What is the SMILES notation for 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

The canonical SMILES for 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is CCC(=O)COc1c(CC)nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c1=O.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1O.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCC(N)=O.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCCO.CCc1nc2c(F)cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCCOC.CCc1nc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cn2c(=O)c1OCCO.

What is the InChIKey of 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

The InChIKey is JKVQBZDLUZTTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F4N5O4S.C26H23F4N5O4S.C25H20F4N6O4S.C25H21F4N5O4S.C25H22F3N5O4S.C23H17F4N5O3S/c1-5-17(37)13-40-21-20(6-2)33-22-19(28)10-16(12-34(22)23(21)38)36-25(41)35(24(39)26(36,3)4)15-8-7-14(11-32)18(9-15)27(29,30)31;1-5-19-20(39-9-8-38-4)22(36)33-13-16(11-18(27)21(33)32-19)35-24(40)34(23(37)25(35,2)3)15-7-6-14(12-31)17(10-15)26(28,29)30;1-4-17-19(39-11-18(31)36)21(37)33-10-14(8-16(26)20(33)32-17)35-23(40)34(22(38)24(35,2)3)13-6-5-12(9-30)15(7-13)25(27,28)29;1-4-18-19(38-8-7-35)21(36)32-12-15(10-17(26)20(32)31-18)34-23(39)33(22(37)24(34,2)3)14-6-5-13(11-30)16(9-14)25(27,28)29;1-4-18-20(37-10-9-34)21(35)31-13-16(7-8-19(31)30-18)33-23(38)32(22(36)24(33,2)3)15-6-5-14(12-29)17(11-15)25(26,27)28;1-4-16-17(33)19(34)30-10-13(8-15(24)18(30)29-16)32-21(36)31(20(35)22(32,2)3)12-6-5-11(9-28)14(7-12)23(25,26)27/h7-10,12H,5-6,13H2,1-4H3;6-7,10-11,13H,5,8-9H2,1-4H3;5-8,10H,4,11H2,1-3H3,(H2,31,36);5-6,9-10,12,35H,4,7-8H2,1-3H3;5-8,11,13,34H,4,9-10H2,1-3H3;5-8,10,33H,4H2,1-3H3.

What are the key properties of 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile has a molecular weight of 3372.22 g/mol, XLogP of 22.77, 35 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]oxyacetamide;4-[3-[2-ethyl-9-fluoro-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-9-fluoro-4-oxo-3-(2-oxobutoxy)pyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[3-[2-ethyl-3-(2-hydroxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 165009181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).