5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C144H135B3BrClF3N9O8P4PdS3 — CID 158055361

IUPAC5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CSc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C)c5)c4c3n2)cn1.CSc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CSc1ccc(Br)cn1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18N4OS.C18H9ClF3N3O.4C18H15P.C12H24B2O4.C12H18BNO2S.C6H6BrNS.Pd/c1-15-4-3-5-18(12-15)28-22(29)11-7-17-14-25-20-9-8-19(27-23(20)24(17)28)16-6-10-21(30-2)26-13-16;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2)12(3,4)16-13(15-11)9-6-7-10(17-5)14-8-9;1-9-6-3-2-5(7)4-8-6;/h3-14H,1-2H3;1-9H;4*1-15H;1-8H3;6-8H,1-5H3;2-4H,1H3;
InChIKeyFJZFWKOSDLFLFI-UHFFFAOYSA-N
MW2651.02 g/mol
LogP30.33
Rot. Bonds20

About 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 158055361) has the molecular formula C144H135B3BrClF3N9O8P4PdS3 and a molecular weight of 2651.02 g/mol. Its IUPAC name is 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID158055361
Molecular FormulaC144H135B3BrClF3N9O8P4PdS3
Molecular Weight2651.02 g/mol
Exact Mass2647.67
IUPAC Name5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CSc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C)c5)c4c3n2)cn1.CSc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CSc1ccc(Br)cn1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18N4OS.C18H9ClF3N3O.4C18H15P.C12H24B2O4.C12H18BNO2S.C6H6BrNS.Pd/c1-15-4-3-5-18(12-15)28-22(29)11-7-17-14-25-20-9-8-19(27-23(20)24(17)28)16-6-10-21(30-2)26-13-16;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2)12(3,4)16-13(15-11)9-6-7-10(17-5)14-8-9;1-9-6-3-2-5(7)4-8-6;/h3-14H,1-2H3;1-9H;4*1-15H;1-8H3;6-8H,1-5H3;2-4H,1H3;
InChIKeyFJZFWKOSDLFLFI-UHFFFAOYSA-N
XLogP30.33
TPSA189.61 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002651.02
LogP ≤ 530.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)
CID 158696488
5-Bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide
CID 159188341
(5-Bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 159197595
3-Bromo-5-methylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-(5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 161292926
Sodium;5-bromo-2-methylsulfanylpyridine;5-bromo-2-methylsulfonylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;methanethiolate;10-(3-methylphenyl)-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;bis(2-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162125305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 158055361) is 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CSc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C)c5)c4c3n2)cn1.CSc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CSc1ccc(Br)cn1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[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 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is FJZFWKOSDLFLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS.C18H9ClF3N3O.4C18H15P.C12H24B2O4.C12H18BNO2S.C6H6BrNS.Pd/c1-15-4-3-5-18(12-15)28-22(29)11-7-17-14-25-20-9-8-19(27-23(20)24(17)28)16-6-10-21(30-2)26-13-16;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2)12(3,4)16-13(15-11)9-6-7-10(17-5)14-8-9;1-9-6-3-2-5(7)4-8-6;/h3-14H,1-2H3;1-9H;4*1-15H;1-8H3;6-8H,1-5H3;2-4H,1H3;.
What are the key properties of 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 2651.02 g/mol, XLogP of 30.33, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158055361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).