4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate

C147H124Cl4N8O23 — CID 157146996

About 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate

4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate (PubChem CID 157146996) has the molecular formula C147H124Cl4N8O23 and a molecular weight of 2512.45 g/mol. Its IUPAC name is 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate.

Molecular Properties

• Compound Name: 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate
• PubChem CID: 157146996
• Molecular Formula: C147H124Cl4N8O23
• Molecular Weight: 2512.45 g/mol
• Exact Mass: 2508.75
• IUPAC Name: 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate
• SMILES: COc1cn(C(Cc2ccc(CC(=O)C3CC3)cc2)C(=O)Cc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O.COc1cn(C(Cc2ccccc2)C(=O)Cc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O.[C-]#[N+]c1ccc(-c2ccc(CC(C(=O)Cc3ccc(C(=O)O)cc3)n3cc(OC)c(-c4cc(Cl)ccc4C(C)=O)cc3=O)cc2)c(C)c1.[C-]#[N+]c1ccc(-c2ccc(CC(C(=O)Cc3ccc(C(=O)OC)cc3)n3cc(OC)c(-c4cc(Cl)ccc4C(C)=O)cc3=O)cc2)c(C)c1
• InChI: InChI=1S/C40H33ClN2O6.C39H31ClN2O6.C36H32ClNO7.C32H28ClN3O4/c1-24-18-31(42-3)15-17-32(24)28-10-6-26(7-11-28)19-36(37(45)20-27-8-12-29(13-9-27)40(47)49-5)43-23-38(48-4)35(22-39(43)46)34-21-30(41)14-16-33(34)25(2)44;1-23-17-30(41-3)14-16-31(23)27-9-5-25(6-10-27)18-35(36(44)19-26-7-11-28(12-8-26)39(46)47)42-22-37(48-4)34(21-38(42)45)33-20-29(40)13-15-32(33)24(2)43;1-21(39)28-14-13-27(37)18-29(28)30-19-35(42)38(20-34(30)45-2)31(33(41)17-24-7-9-26(10-8-24)36(43)44)15-22-3-5-23(6-4-22)16-32(40)25-11-12-25;1-20(37)25-11-10-24(33)16-26(25)27-17-32(39)36(19-31(27)40-3)29(14-21-7-5-4-6-8-21)30(38)15-22-9-12-28-23(13-22)18-35(2)34-28/h6-18,21-23,36H,19-20H2,1-2,4-5H3;5-17,20-22,35H,18-19H2,1-2,4H3,(H,46,47);3-10,13-14,18-20,25,31H,11-12,15-17H2,1-2H3,(H,43,44);4-13,16-19,29H,14-15H2,1-3H3
• InChIKey: AKUYSSKYHNYXQR-UHFFFAOYSA-N
• XLogP: 28.55
• TPSA: 405.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 44
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2512.45
LogP ≤ 5	28.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate?

The IUPAC name of 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate (CID 157146996) is 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate.

What is the SMILES notation for 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate?

The canonical SMILES for 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate is COc1cn(C(Cc2ccc(CC(=O)C3CC3)cc2)C(=O)Cc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O.COc1cn(C(Cc2ccccc2)C(=O)Cc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O.[C-]#[N+]c1ccc(-c2ccc(CC(C(=O)Cc3ccc(C(=O)O)cc3)n3cc(OC)c(-c4cc(Cl)ccc4C(C)=O)cc3=O)cc2)c(C)c1.[C-]#[N+]c1ccc(-c2ccc(CC(C(=O)Cc3ccc(C(=O)OC)cc3)n3cc(OC)c(-c4cc(Cl)ccc4C(C)=O)cc3=O)cc2)c(C)c1.

What is the InChIKey of 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate?

The InChIKey is AKUYSSKYHNYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33ClN2O6.C39H31ClN2O6.C36H32ClNO7.C32H28ClN3O4/c1-24-18-31(42-3)15-17-32(24)28-10-6-26(7-11-28)19-36(37(45)20-27-8-12-29(13-9-27)40(47)49-5)43-23-38(48-4)35(22-39(43)46)34-21-30(41)14-16-33(34)25(2)44;1-23-17-30(41-3)14-16-31(23)27-9-5-25(6-10-27)18-35(36(44)19-26-7-11-28(12-8-26)39(46)47)42-22-37(48-4)34(21-38(42)45)33-20-29(40)13-15-32(33)24(2)43;1-21(39)28-14-13-27(37)18-29(28)30-19-35(42)38(20-34(30)45-2)31(33(41)17-24-7-9-26(10-8-24)36(43)44)15-22-3-5-23(6-4-22)16-32(40)25-11-12-25;1-20(37)25-11-10-24(33)16-26(25)27-17-32(39)36(19-31(27)40-3)29(14-21-7-5-4-6-8-21)30(38)15-22-9-12-28-23(13-22)18-35(2)34-28/h6-18,21-23,36H,19-20H2,1-2,4-5H3;5-17,20-22,35H,18-19H2,1-2,4H3,(H,46,47);3-10,13-14,18-20,25,31H,11-12,15-17H2,1-2H3,(H,43,44);4-13,16-19,29H,14-15H2,1-3H3.

What are the key properties of 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate?

4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate has a molecular weight of 2512.45 g/mol, XLogP of 28.55, 44 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methylindazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]-2-oxobutyl]benzoic acid;4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoic acid;methyl 4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[4-(4-isocyano-2-methylphenyl)phenyl]-2-oxobutyl]benzoate is sourced from PubChem (CID 157146996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).