sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide

C160H177BBr3N11NaO22Pd- — CID 159250110

About sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide

sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide (PubChem CID 159250110) has the molecular formula C160H177BBr3N11NaO22Pd- and a molecular weight of 2986.16 g/mol. Its IUPAC name is sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide.

Molecular Properties

• Compound Name: sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide
• PubChem CID: 159250110
• Molecular Formula: C160H177BBr3N11NaO22Pd-
• Molecular Weight: 2986.16 g/mol
• Exact Mass: 2980.97
• IUPAC Name: sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide
• SMILES: BrCCOCc1ccccc1.Brc1cccnc1OCc1ccccc1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc[nH]c3=O)n(CCO)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3OCc3ccccc3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3OCc3ccccc3)n(CCOCc3ccccc3)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ncccc1-3.O=c1[nH]cccc1Br.[CH3-].[H][H].[Na+].[OH-].[Pd]
• InChI: InChI=1S/C37H38N2O4.C28H28N2O3.C23H26N2O4.C23H24N2O3.C22H30BNO4.C12H10BrNO.C9H11BrO.C5H4BrNO.CH3.Na.H2O.Pd.H2/c1-41-37(40)30-19-20-31-33(24-30)39(22-23-42-25-27-12-5-2-6-13-27)35(34(31)29-16-9-4-10-17-29)32-18-11-21-38-36(32)43-26-28-14-7-3-8-15-28;1-32-28(31)21-14-15-22-24(17-21)30-26(25(22)20-11-6-3-7-12-20)23-13-8-16-29-27(23)33-18-19-9-4-2-5-10-19;1-29-23(28)16-9-10-17-19(14-16)25(12-13-26)21(18-8-5-11-24-22(18)27)20(17)15-6-3-2-4-7-15;1-27-23(26)16-9-10-17-19(14-16)25-12-13-28-22-18(8-5-11-24-22)21(25)20(17)15-6-3-2-4-7-15;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10;10-6-7-11-8-9-4-2-1-3-5-9;6-4-2-1-3-7-5(4)8;;;;;/h2-3,5-8,11-15,18-21,24,29H,4,9-10,16-17,22-23,25-26H2,1H3;2,4-5,8-10,13-17,20,30H,3,6-7,11-12,18H2,1H3;5,8-11,14-15,26H,2-4,6-7,12-13H2,1H3,(H,24,27);5,8-11,14-15H,2-4,6-7,12-13H2,1H3;11-14,24H,6-10H2,1-5H3;1-8H,9H2;1-5H,6-8H2;1-3H,(H,7,8);1H3;;1H2;;1H/q;;;;;;;;-1;+1;;;/p-1
• InChIKey: QULKEWOHLHNVTP-UHFFFAOYSA-M
• XLogP: 32.71
• TPSA: 419.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2986.16
LogP ≤ 5	32.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide?

The IUPAC name of sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide (CID 159250110) is sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide.

What is the SMILES notation for sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide?

The canonical SMILES for sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide is BrCCOCc1ccccc1.Brc1cccnc1OCc1ccccc1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc[nH]c3=O)n(CCO)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3OCc3ccccc3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3OCc3ccccc3)n(CCOCc3ccccc3)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ncccc1-3.O=c1[nH]cccc1Br.[CH3-].[H][H].[Na+].[OH-].[Pd].

What is the InChIKey of sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide?

The InChIKey is QULKEWOHLHNVTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H38N2O4.C28H28N2O3.C23H26N2O4.C23H24N2O3.C22H30BNO4.C12H10BrNO.C9H11BrO.C5H4BrNO.CH3.Na.H2O.Pd.H2/c1-41-37(40)30-19-20-31-33(24-30)39(22-23-42-25-27-12-5-2-6-13-27)35(34(31)29-16-9-4-10-17-29)32-18-11-21-38-36(32)43-26-28-14-7-3-8-15-28;1-32-28(31)21-14-15-22-24(17-21)30-26(25(22)20-11-6-3-7-12-20)23-13-8-16-29-27(23)33-18-19-9-4-2-5-10-19;1-29-23(28)16-9-10-17-19(14-16)25(12-13-26)21(18-8-5-11-24-22(18)27)20(17)15-6-3-2-4-7-15;1-27-23(26)16-9-10-17-19(14-16)25-12-13-28-22-18(8-5-11-24-22)21(25)20(17)15-6-3-2-4-7-15;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10;10-6-7-11-8-9-4-2-1-3-5-9;6-4-2-1-3-7-5(4)8;;;;;/h2-3,5-8,11-15,18-21,24,29H,4,9-10,16-17,22-23,25-26H2,1H3;2,4-5,8-10,13-17,20,30H,3,6-7,11-12,18H2,1H3;5,8-11,14-15,26H,2-4,6-7,12-13H2,1H3,(H,24,27);5,8-11,14-15H,2-4,6-7,12-13H2,1H3;11-14,24H,6-10H2,1-5H3;1-8H,9H2;1-5H,6-8H2;1-3H,(H,7,8);1H3;;1H2;;1H/q;;;;;;;;-1;+1;;;/p-1.

What are the key properties of sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide?

sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide has a molecular weight of 2986.16 g/mol, XLogP of 32.71, 34 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-bromoethoxymethylbenzene;3-bromo-2-phenylmethoxypyridine;3-bromo-1H-pyridin-2-one;carbanide;methyl 3-cyclohexyl-1-(2-hydroxyethyl)-2-(2-oxo-1H-pyridin-3-yl)indole-6-carboxylate;methyl 18-cyclohexyl-8-oxa-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-phenylmethoxy-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;molecular hydrogen;palladium;hydroxide is sourced from PubChem (CID 159250110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).