2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)

C124H94BClF6N10O6P4Pd — CID 160983062

IUPAC2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
SMILESC1COCCO1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[C-]#[N+]c1cncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)c1.[C-]#[N+]c1cncc(B(O)O)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H12F3N5O.C18H9ClF3N3O.4C18H15P.C6H5BN2O2.C4H8O2.Pd/c1-28-17-9-15(11-29-13-17)19-6-7-20-22(31-19)23-14(12-30-20)5-8-21(33)32(23)18-4-2-3-16(10-18)24(25,26)27;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;1-8-6-2-5(7(10)11)3-9-4-6;1-2-6-4-3-5-1;/h2-13H;1-9H;4*1-15H;2-4,10-11H;1-4H2;
InChIKeySZTPVPHVFXFYGX-UHFFFAOYSA-N
MW2210.75 g/mol
LogP23.29
Rot. Bonds16

About 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)

2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) (PubChem CID 160983062) has the molecular formula C124H94BClF6N10O6P4Pd and a molecular weight of 2210.75 g/mol. Its IUPAC name is 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
PubChem CID160983062
Molecular FormulaC124H94BClF6N10O6P4Pd
Molecular Weight2210.75 g/mol
Exact Mass2208.50
IUPAC Name2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
SMILESC1COCCO1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[C-]#[N+]c1cncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)c1.[C-]#[N+]c1cncc(B(O)O)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H12F3N5O.C18H9ClF3N3O.4C18H15P.C6H5BN2O2.C4H8O2.Pd/c1-28-17-9-15(11-29-13-17)19-6-7-20-22(31-19)23-14(12-30-20)5-8-21(33)32(23)18-4-2-3-16(10-18)24(25,26)27;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;1-8-6-2-5(7(10)11)3-9-4-6;1-2-6-4-3-5-1;/h2-13H;1-9H;4*1-15H;2-4,10-11H;1-4H2;
InChIKeySZTPVPHVFXFYGX-UHFFFAOYSA-N
XLogP23.29
TPSA188.98 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002210.75
LogP ≤ 523.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
CID 157695088
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;[2-(hydroxymethyl)pyrimidin-5-yl]boronic acid;2-[2-(hydroxymethyl)pyrimidin-5-yl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
CID 158022063
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)
CID 158368156
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-(1-methylpyrazol-4-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;tetrakis(triphenylphosphane)
CID 158558292
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 160139366
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-(2-methylpyrazol-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;tetrakis(triphenylphosphane)
CID 160981585
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
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
CID 161382070
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-(6-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)
CID 161672400
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;(6-morpholin-4-yl-3-pyridinyl)boronic acid;palladium;tetrakis(triphenylphosphane)
CID 161836243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) (CID 160983062) is 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) is C1COCCO1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[C-]#[N+]c1cncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)c1.[C-]#[N+]c1cncc(B(O)O)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 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?
The InChIKey is SZTPVPHVFXFYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F3N5O.C18H9ClF3N3O.4C18H15P.C6H5BN2O2.C4H8O2.Pd/c1-28-17-9-15(11-29-13-17)19-6-7-20-22(31-19)23-14(12-30-20)5-8-21(33)32(23)18-4-2-3-16(10-18)24(25,26)27;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;1-8-6-2-5(7(10)11)3-9-4-6;1-2-6-4-3-5-1;/h2-13H;1-9H;4*1-15H;2-4,10-11H;1-4H2;.
What are the key properties of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?
2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2210.75 g/mol, XLogP of 23.29, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1,4-dioxane;(5-isocyano-3-pyridinyl)boronic acid;2-(5-isocyano-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160983062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).