potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)

C131H119BBr2KN9O6P4PdS3 — CID 159506312

About potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)

potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane) (PubChem CID 159506312) has the molecular formula C131H119BBr2KN9O6P4PdS3 and a molecular weight of 2451.68 g/mol. Its IUPAC name is potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159506312
• Molecular Formula: C131H119BBr2KN9O6P4PdS3
• Molecular Weight: 2451.68 g/mol
• Exact Mass: 2447.45
• IUPAC Name: potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)
• SMILES: CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnc(C)s5)ncc34)c2C1.Cc1cc2cccc(Br)c2cn1.Cc1ncc(-c2cc3cccc(Br)c3cn2)s1.Cc1ncc(B2OC(C)(C)C(C)(C)O2)s1.O=CO[O-].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H25N5OS.4C18H15P.C13H9BrN2S.C10H16BNO2S.C10H8BrN.CH2O3.K.Pd/c1-3-23(31)29-9-10-30-21(14-29)24(28-25(30)16-7-8-16)18-6-4-5-17-11-20(27-12-19(17)18)22-13-26-15(2)32-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-15-7-13(17-8)12-5-9-3-2-4-11(14)10(9)6-16-12;1-7-12-6-8(15-7)11-13-9(2,3)10(4,5)14-11;1-7-5-8-3-2-4-10(11)9(8)6-12-7;2-1-4-3;;/h4-6,11-13,16H,3,7-10,14H2,1-2H3;4*1-15H;2-7H,1H3;6H,1-5H3;2-6H,1H3;1,3H;;/q;;;;;;;;;+1;/p-1
• InChIKey: MAAONSMYVCGKOJ-UHFFFAOYSA-M
• XLogP: 23.86
• TPSA: 183.29 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2451.68
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane) (CID 159506312) is potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane) is CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnc(C)s5)ncc34)c2C1.Cc1cc2cccc(Br)c2cn1.Cc1ncc(-c2cc3cccc(Br)c3cn2)s1.Cc1ncc(B2OC(C)(C)C(C)(C)O2)s1.O=CO[O-].[K+].[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 potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)?

The InChIKey is MAAONSMYVCGKOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H25N5OS.4C18H15P.C13H9BrN2S.C10H16BNO2S.C10H8BrN.CH2O3.K.Pd/c1-3-23(31)29-9-10-30-21(14-29)24(28-25(30)16-7-8-16)18-6-4-5-17-11-20(27-12-19(17)18)22-13-26-15(2)32-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-15-7-13(17-8)12-5-9-3-2-4-11(14)10(9)6-16-12;1-7-12-6-8(15-7)11-13-9(2,3)10(4,5)14-11;1-7-5-8-3-2-4-10(11)9(8)6-12-7;2-1-4-3;;/h4-6,11-13,16H,3,7-10,14H2,1-2H3;4*1-15H;2-7H,1H3;6H,1-5H3;2-6H,1H3;1,3H;;/q;;;;;;;;;+1;/p-1.

What are the key properties of potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane)?

potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2451.68 g/mol, XLogP of 23.86, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-(8-bromoisoquinolin-3-yl)-2-methyl-1,3-thiazole;8-bromo-3-methylisoquinoline;1-[3-cyclopropyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;oxido formate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159506312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).