sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide

C184H176BBrN9NaO18P4Pd — CID 159037278

About sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide

sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide (PubChem CID 159037278) has the molecular formula C184H176BBrN9NaO18P4Pd and a molecular weight of 3145.50 g/mol. Its IUPAC name is sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide.

Molecular Properties

• Compound Name: sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide
• PubChem CID: 159037278
• Molecular Formula: C184H176BBrN9NaO18P4Pd
• Molecular Weight: 3145.50 g/mol
• Exact Mass: 3142.03
• IUPAC Name: sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide
• SMILES: CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)O)c(C(=O)c2ccc(-c3cccnc3)cc2)n2ccc(OCc3ccccn3)cc12.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccccn3)ccn2c1C(=O)c1ccc(-c2cccnc2)cc1.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccccn3)ccn2c1C(=O)c1ccc(Br)cc1.OB(O)c1cccnc1.[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C38H39N3O5.C36H35N3O5.C33H35BrN2O5.4C18H15P.C5H6BNO2.Na.H2O.Pd/c1-7-45-36(44)38(5,6)22-30-32(35(43)37(2,3)4)31-21-29(46-24-28-12-8-9-19-40-28)17-20-41(31)33(30)34(42)26-15-13-25(14-16-26)27-11-10-18-39-23-27;1-35(2,3)33(41)30-28(20-36(4,5)34(42)43)31(32(40)24-13-11-23(12-14-24)25-9-8-16-37-21-25)39-18-15-27(19-29(30)39)44-22-26-10-6-7-17-38-26;1-7-40-31(39)33(5,6)19-25-27(30(38)32(2,3)4)26-18-24(41-20-23-10-8-9-16-35-23)15-17-36(26)28(25)29(37)21-11-13-22(34)14-12-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;;;/h8-21,23H,7,22,24H2,1-6H3;6-19,21H,20,22H2,1-5H3,(H,42,43);8-18H,7,19-20H2,1-6H3;4*1-15H;1-4,8-9H;;1H2;/q;;;;;;;;+1;;/p-1
• InChIKey: JVPMSGRBRMJFHL-UHFFFAOYSA-M
• XLogP: 31.29
• TPSA: 381.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3145.50
LogP ≤ 5	31.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?

The IUPAC name of sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide (CID 159037278) is sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide.

What is the SMILES notation for sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?

The canonical SMILES for sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide is CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)O)c(C(=O)c2ccc(-c3cccnc3)cc2)n2ccc(OCc3ccccn3)cc12.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccccn3)ccn2c1C(=O)c1ccc(-c2cccnc2)cc1.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccccn3)ccn2c1C(=O)c1ccc(Br)cc1.OB(O)c1cccnc1.[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?

The InChIKey is JVPMSGRBRMJFHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C38H39N3O5.C36H35N3O5.C33H35BrN2O5.4C18H15P.C5H6BNO2.Na.H2O.Pd/c1-7-45-36(44)38(5,6)22-30-32(35(43)37(2,3)4)31-21-29(46-24-28-12-8-9-19-40-28)17-20-41(31)33(30)34(42)26-15-13-25(14-16-26)27-11-10-18-39-23-27;1-35(2,3)33(41)30-28(20-36(4,5)34(42)43)31(32(40)24-13-11-23(12-14-24)25-9-8-16-37-21-25)39-18-15-27(19-29(30)39)44-22-26-10-6-7-17-38-26;1-7-40-31(39)33(5,6)19-25-27(30(38)32(2,3)4)26-18-24(41-20-23-10-8-9-16-35-23)15-17-36(26)28(25)29(37)21-11-13-22(34)14-12-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;;;/h8-21,23H,7,22,24H2,1-6H3;6-19,21H,20,22H2,1-5H3,(H,42,43);8-18H,7,19-20H2,1-6H3;4*1-15H;1-4,8-9H;;1H2;/q;;;;;;;;+1;;/p-1.

What are the key properties of sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?

sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide has a molecular weight of 3145.50 g/mol, XLogP of 31.29, 44 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;ethyl 3-[3-(4-bromobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[1-(2,2-dimethylpropanoyl)-3-(4-pyridin-3-ylbenzoyl)-7-(pyridin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);hydroxide is sourced from PubChem (CID 159037278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).