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)

C118H90BClF6N10O6P4Pd — CID 158022063

IUPAC2-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)
SMILESO=c1ccc2cnc3ccc(-c4cnc(CO)nc4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OCc1ncc(B(O)O)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H14F3N5O2.C18H9ClF3N3O.4C18H15P.C5H7BN2O3.Pd/c24-23(25,26)15-2-1-3-16(8-15)31-20(33)7-4-13-9-27-18-6-5-17(30-21(18)22(13)31)14-10-28-19(12-32)29-11-14;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;9-3-5-7-1-4(2-8-5)6(10)11;/h1-11,32H,12H2;1-9H;4*1-15H;1-2,9-11H,3H2;
InChIKeyFGEGGDLWJNSLON-UHFFFAOYSA-N
MW2134.65 g/mol
LogP19.93
Rot. Bonds18

About 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)

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) (PubChem CID 158022063) has the molecular formula C118H90BClF6N10O6P4Pd and a molecular weight of 2134.65 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-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)
PubChem CID158022063
Molecular FormulaC118H90BClF6N10O6P4Pd
Molecular Weight2134.65 g/mol
Exact Mass2132.47
IUPAC Name2-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)
SMILESO=c1ccc2cnc3ccc(-c4cnc(CO)nc4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OCc1ncc(B(O)O)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H14F3N5O2.C18H9ClF3N3O.4C18H15P.C5H7BN2O3.Pd/c24-23(25,26)15-2-1-3-16(8-15)31-20(33)7-4-13-9-27-18-6-5-17(30-21(18)22(13)31)14-10-28-19(12-32)29-11-14;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;9-3-5-7-1-4(2-8-5)6(10)11;/h1-11,32H,12H2;1-9H;4*1-15H;1-2,9-11H,3H2;
InChIKeyFGEGGDLWJNSLON-UHFFFAOYSA-N
XLogP19.93
TPSA228.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002134.65
LogP ≤ 519.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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 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) with MolForge

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Related Compounds

2-[2-(Hydroxymethyl)pyrimidin-5-yl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 122642329
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-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)
CID 158233250
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
9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;tetrakis(triphenylphosphane)
CID 160359429
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
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
N-[3-[2-chloro-5-(3-fluoroanilino)pyrimidin-4-yl]phenyl]prop-2-enamide;2,6-dichloro-N-(3-fluorophenyl)pyridin-3-amine;N-[3-[3-(3-fluoroanilino)-6-[4-(3-fluoro-4-methylpiperazin-1-yl)anilino]-2-pyridinyl]phenyl]prop-2-enamide;4-(3-fluoro-4-methylpiperazin-1-yl)aniline;[3-(prop-2-enoylamino)phenyl]boronic acid
CID 158147040
4-(4-aminophenyl)-6-fluoro-1-methylpiperazin-2-ol;N-[3-[2-chloro-5-(3-fluoroanilino)pyrimidin-4-yl]phenyl]prop-2-enamide;2,4-dichloro-N-(3-fluorophenyl)pyrimidin-5-amine;N-[3-[5-(3-fluoroanilino)-2-[4-(3-fluoro-5-hydroxy-4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid
CID 160860625
2-Chloro-10-[4-(2-isocyanopropan-2-yl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[2-(hydroxymethyl)pyrimidin-5-yl]-10-[4-(2-isocyanopropan-2-yl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(2-methoxypyrimidin-5-yl)boronic acid
CID 161888845

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is O=c1ccc2cnc3ccc(-c4cnc(CO)nc4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OCc1ncc(B(O)O)cn1.[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;[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)?
The InChIKey is FGEGGDLWJNSLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O2.C18H9ClF3N3O.4C18H15P.C5H7BN2O3.Pd/c24-23(25,26)15-2-1-3-16(8-15)31-20(33)7-4-13-9-27-18-6-5-17(30-21(18)22(13)31)14-10-28-19(12-32)29-11-14;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;9-3-5-7-1-4(2-8-5)6(10)11;/h1-11,32H,12H2;1-9H;4*1-15H;1-2,9-11H,3H2;.
What are the key properties of 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)?
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) has a molecular weight of 2134.65 g/mol, XLogP of 19.93, 18 rotatable bonds, 4 hydrogen bond donors, and 16 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;[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) is sourced from PubChem (CID 158022063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).