1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one

C120H112Cl4F24N20O9Si2 — CID 172923145

About 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one

1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one (PubChem CID 172923145) has the molecular formula C120H112Cl4F24N20O9Si2 and a molecular weight of 2632.28 g/mol. Its IUPAC name is 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one
• PubChem CID: 172923145
• Molecular Formula: C120H112Cl4F24N20O9Si2
• Molecular Weight: 2632.28 g/mol
• Exact Mass: 2628.68
• IUPAC Name: 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one
• SMILES: C=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2.COc1cc(/C(=N\N)c2cc(Cl)cn(C(CO)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)ccc1-n1cnc(C)c1.COc1cc(/C(=N\N)c2cc(Cl)cn(C(CO[Si](C)(C)C(C)(C)C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)ccc1-n1cnc(C)c1.COc1cc(C2NN=C3C2=CC(Cl)=CN3C(CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C33H36ClF6N5O3Si.C33H36ClF6N5O2Si.C27H22ClF6N5O3.C27H18ClF6N5O/c1-19-15-44(18-42-19)26-9-8-20(12-28(26)47-5)29(43-41)25-14-24(34)16-45(30(25)46)27(17-48-49(6,7)31(2,3)4)21-10-22(32(35,36)37)13-23(11-21)33(38,39)40;1-19-15-44(18-41-19)26-9-8-20(12-28(26)46-5)29-25-14-24(34)16-45(30(25)43-42-29)27(17-47-48(6,7)31(2,3)4)21-10-22(32(35,36)37)13-23(11-21)33(38,39)40;1-14-10-38(13-36-14)21-4-3-15(7-23(21)42-2)24(37-35)20-9-19(28)11-39(25(20)41)22(12-40)16-5-17(26(29,30)31)8-18(6-16)27(32,33)34;1-14-11-38(13-35-14)22-5-4-16(8-23(22)40-3)24-21-10-20(28)12-39(25(21)37-36-24)15(2)17-6-18(26(29,30)31)9-19(7-17)27(32,33)34/h8-16,18,27H,17,41H2,1-7H3;8-16,18,27,29,42H,17H2,1-7H3;3-11,13,22,40H,12,35H2,1-2H3;4-13H,2H2,1,3H3/b43-29+;;37-24+
• InChIKey: VQQWSNOFGIVAAM-IWCKVKOJSA-N
• XLogP: 30.73
• TPSA: 325.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2632.28
LogP ≤ 5	30.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one?

The IUPAC name of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one (CID 172923145) is 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one.

What is the SMILES notation for 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one?

The canonical SMILES for 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one is C=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2.COc1cc(/C(=N\N)c2cc(Cl)cn(C(CO)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)ccc1-n1cnc(C)c1.COc1cc(/C(=N\N)c2cc(Cl)cn(C(CO[Si](C)(C)C(C)(C)C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)ccc1-n1cnc(C)c1.COc1cc(C2NN=C3C2=CC(Cl)=CN3C(CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-n1cnc(C)c1.

What is the InChIKey of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one?

The InChIKey is VQQWSNOFGIVAAM-IWCKVKOJSA-N. The full InChI is InChI=1S/C33H36ClF6N5O3Si.C33H36ClF6N5O2Si.C27H22ClF6N5O3.C27H18ClF6N5O/c1-19-15-44(18-42-19)26-9-8-20(12-28(26)47-5)29(43-41)25-14-24(34)16-45(30(25)46)27(17-48-49(6,7)31(2,3)4)21-10-22(32(35,36)37)13-23(11-21)33(38,39)40;1-19-15-44(18-41-19)26-9-8-20(12-28(26)46-5)29-25-14-24(34)16-45(30(25)43-42-29)27(17-47-48(6,7)31(2,3)4)21-10-22(32(35,36)37)13-23(11-21)33(38,39)40;1-14-10-38(13-36-14)21-4-3-15(7-23(21)42-2)24(37-35)20-9-19(28)11-39(25(20)41)22(12-40)16-5-17(26(29,30)31)8-18(6-16)27(32,33)34;1-14-11-38(13-35-14)22-5-4-16(8-23(22)40-3)24-21-10-20(28)12-39(25(21)37-36-24)15(2)17-6-18(26(29,30)31)9-19(7-17)27(32,33)34/h8-16,18,27H,17,41H2,1-7H3;8-16,18,27,29,42H,17H2,1-7H3;3-11,13,22,40H,12,35H2,1-2H3;4-13H,2H2,1,3H3/b43-29+;;37-24+;.

What are the key properties of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one?

1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one has a molecular weight of 2632.28 g/mol, XLogP of 30.73, 29 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one is sourced from PubChem (CID 172923145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).