sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)

C138H136BBr2N4NaO9P4Pd — CID 158335853

IUPACsodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(C2=CCOCC2)OC1(C)C.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.Cc1cc2c(Br)cccc2cc1C1=CCOCC1.Cc1cc2cccc(Br)c2cc1C.O=CO[O-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N4O2.4C18H15P.C16H15BrO.C12H11Br.C11H19BO3.CH2O3.Na.Pd/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-9-15-13(3-2-4-16(15)17)10-14(11)12-5-7-18-8-6-12;1-8-6-10-4-3-5-12(13)11(10)7-9(8)2;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;2-1-4-3;;/h3-5,14-15,17-18H,2,6-13,16H2,1H3;4*1-15H;2-5,9-10H,6-8H2,1H3;3-7H,1-2H3;5H,6-8H2,1-4H3;1,3H;;/q;;;;;;;;;+1;/p-1
InChIKeyGQOLMMZOHPKRBH-UHFFFAOYSA-M
MW2418.55 g/mol
LogP24.74
Rot. Bonds19

About sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)

sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane) (PubChem CID 158335853) has the molecular formula C138H136BBr2N4NaO9P4Pd and a molecular weight of 2418.55 g/mol. Its IUPAC name is sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namesodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)
PubChem CID158335853
Molecular FormulaC138H136BBr2N4NaO9P4Pd
Molecular Weight2418.55 g/mol
Exact Mass2414.67
IUPAC Namesodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(C2=CCOCC2)OC1(C)C.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.Cc1cc2c(Br)cccc2cc1C1=CCOCC1.Cc1cc2cccc(Br)c2cc1C.O=CO[O-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N4O2.4C18H15P.C16H15BrO.C12H11Br.C11H19BO3.CH2O3.Na.Pd/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-9-15-13(3-2-4-16(15)17)10-14(11)12-5-7-18-8-6-12;1-8-6-10-4-3-5-12(13)11(10)7-9(8)2;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;2-1-4-3;;/h3-5,14-15,17-18H,2,6-13,16H2,1H3;4*1-15H;2-5,9-10H,6-8H2,1H3;3-7H,1-2H3;5H,6-8H2,1-4H3;1,3H;;/q;;;;;;;;;+1;/p-1
InChIKeyGQOLMMZOHPKRBH-UHFFFAOYSA-M
XLogP24.74
TPSA146.53 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.55
LogP ≤ 524.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-(3,6-dihydro-2H-pyran-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;hydride;methane;oxido formate
CID 158206491

Frequently Asked Questions

What is the IUPAC name of sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane) (CID 158335853) is sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane) is CC1(C)OB(C2=CCOCC2)OC1(C)C.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.Cc1cc2c(Br)cccc2cc1C1=CCOCC1.Cc1cc2cccc(Br)c2cc1C.O=CO[O-].[Na+].[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;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)?
The InChIKey is GQOLMMZOHPKRBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H30N4O2.4C18H15P.C16H15BrO.C12H11Br.C11H19BO3.CH2O3.Na.Pd/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-9-15-13(3-2-4-16(15)17)10-14(11)12-5-7-18-8-6-12;1-8-6-10-4-3-5-12(13)11(10)7-9(8)2;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;2-1-4-3;;/h3-5,14-15,17-18H,2,6-13,16H2,1H3;4*1-15H;2-5,9-10H,6-8H2,1H3;3-7H,1-2H3;5H,6-8H2,1-4H3;1,3H;;/q;;;;;;;;;+1;/p-1.
What are the key properties of sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane)?
sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2418.55 g/mol, XLogP of 24.74, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-bromo-6,7-dimethylnaphthalene;4-(5-bromo-3-methylnaphthalen-2-yl)-3,6-dihydro-2H-pyran;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido formate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158335853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).