3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine

C159H152N15O23Pd- — CID 160734797

About 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine

3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine (PubChem CID 160734797) has the molecular formula C159H152N15O23Pd- and a molecular weight of 2747.47 g/mol. Its IUPAC name is 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine.

Molecular Properties

• Compound Name: 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine
• PubChem CID: 160734797
• Molecular Formula: C159H152N15O23Pd-
• Molecular Weight: 2747.47 g/mol
• Exact Mass: 2745.02
• IUPAC Name: 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine
• SMILES: C1CCOC1.CN1C(=O)C(c2c[nH]c3ccccc23)C(c2cn3c4c(cccc24)CCC3)C1=O.COC(=O)/C(=C(\C(=O)OC)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)/C(=C(\C(=O)OC)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)C(=O)c1c[nH]c2ccccc12.COC(=O)C(=O)c1cn2c3c(cccc13)CCC2.COC(=O)Cc1c[nH]c2ccccc12.COC(=O)Cc1cn2c3c(cccc13)CCC2.NCc1ccccc1.O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12.[CH3-].[Pd]
• InChI: InChI=1S/2C25H22N2O4.C24H21N3O2.C23H19N3O2.C14H13NO3.C14H15NO2.C11H9NO3.C11H11NO2.C7H9N.C4H8O.CH3.Pd/c2*1-30-24(28)21(18-13-26-20-11-4-3-9-16(18)20)22(25(29)31-2)19-14-27-12-6-8-15-7-5-10-17(19)23(15)27;1-26-23(28)20(17-12-25-19-10-3-2-8-15(17)19)21(24(26)29)18-13-27-11-5-7-14-6-4-9-16(18)22(14)27;27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26;1-18-14(17)13(16)11-8-15-7-3-5-9-4-2-6-10(11)12(9)15;1-17-13(16)8-11-9-15-7-3-5-10-4-2-6-12(11)14(10)15;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9;1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;/h2*3-5,7,9-11,13-14,26H,6,8,12H2,1-2H3;2-4,6,8-10,12-13,20-21,25H,5,7,11H2,1H3;1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28);2,4,6,8H,3,5,7H2,1H3;2,4,6,9H,3,5,7-8H2,1H3;2-6,12H,1H3;2-5,7,12H,6H2,1H3;1-5H,6,8H2;1-4H2;1H3;/q;;;;;;;;;;-1;/b2*22-21-;;;;;;;;;;/t;;;19-,20-;;;;;;;;/m...0......../s1
• InChIKey: PHVBOABMGLKJRH-SJESZYPQSA-N
• XLogP: 26.22
• TPSA: 487.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2747.47
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine?

The IUPAC name of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine (CID 160734797) is 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine.

What is the SMILES notation for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine?

The canonical SMILES for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine is C1CCOC1.CN1C(=O)C(c2c[nH]c3ccccc23)C(c2cn3c4c(cccc24)CCC3)C1=O.COC(=O)/C(=C(\C(=O)OC)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)/C(=C(\C(=O)OC)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)C(=O)c1c[nH]c2ccccc12.COC(=O)C(=O)c1cn2c3c(cccc13)CCC2.COC(=O)Cc1c[nH]c2ccccc12.COC(=O)Cc1cn2c3c(cccc13)CCC2.NCc1ccccc1.O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12.[CH3-].[Pd].

What is the InChIKey of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine?

The InChIKey is PHVBOABMGLKJRH-SJESZYPQSA-N. The full InChI is InChI=1S/2C25H22N2O4.C24H21N3O2.C23H19N3O2.C14H13NO3.C14H15NO2.C11H9NO3.C11H11NO2.C7H9N.C4H8O.CH3.Pd/c2*1-30-24(28)21(18-13-26-20-11-4-3-9-16(18)20)22(25(29)31-2)19-14-27-12-6-8-15-7-5-10-17(19)23(15)27;1-26-23(28)20(17-12-25-19-10-3-2-8-15(17)19)21(24(26)29)18-13-27-11-5-7-14-6-4-9-16(18)22(14)27;27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26;1-18-14(17)13(16)11-8-15-7-3-5-9-4-2-6-10(11)12(9)15;1-17-13(16)8-11-9-15-7-3-5-10-4-2-6-12(11)14(10)15;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9;1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;/h2*3-5,7,9-11,13-14,26H,6,8,12H2,1-2H3;2-4,6,8-10,12-13,20-21,25H,5,7,11H2,1H3;1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28);2,4,6,8H,3,5,7H2,1H3;2,4,6,9H,3,5,7-8H2,1H3;2-6,12H,1H3;2-5,7,12H,6H2,1H3;1-5H,6,8H2;1-4H2;1H3;/q;;;;;;;;;;-1;/b2*22-21-;;;;;;;;;;/t;;;19-,20-;;;;;;;;/m...0......../s1.

What are the key properties of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine?

3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine has a molecular weight of 2747.47 g/mol, XLogP of 26.22, 21 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;carbanide;bis(dimethyl (Z)-2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)but-2-enedioate);methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetate;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;palladium;phenylmethanamine is sourced from PubChem (CID 160734797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).