9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)

C141H132B2ClF6N13O8P4Pd — CID 158219000

About 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)

9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane) (PubChem CID 158219000) has the molecular formula C141H132B2ClF6N13O8P4Pd and a molecular weight of 2538.07 g/mol. Its IUPAC name is 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)
• PubChem CID: 158219000
• Molecular Formula: C141H132B2ClF6N13O8P4Pd
• Molecular Weight: 2538.07 g/mol
• Exact Mass: 2535.81
• IUPAC Name: 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)
• SMILES: C.CC(=O)Cc1ccc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN1Cc2cnc3ccc(Cl)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H20F3N5O2.C18H12ClF3N4O.4C18H15P.C13H19BN2O3.C11H17BN2O2.CH4.Pd/c1-15(35)10-19-7-6-16(12-30-19)21-8-9-22-23(32-21)24-17(13-31-22)14-33(2)25(36)34(24)20-5-3-4-18(11-20)26(27,28)29;1-25-9-10-8-23-13-5-6-14(19)24-15(13)16(10)26(17(25)27)12-4-2-3-11(7-12)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(17)16-11-7-6-10(8-15-11)14-18-12(2,3)13(4,5)19-14;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;;/h3-9,11-13H,10,14H2,1-2H3;2-8H,9H2,1H3;4*1-15H;6-8H,1-5H3,(H,15,16,17);5-7H,1-4H3,(H2,13,14);1H4
• InChIKey: GCZZXILFEZTSKK-UHFFFAOYSA-N
• XLogP: 27.27
• TPSA: 246.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2538.07
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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'}

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)?

The IUPAC name of 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane) (CID 158219000) is 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane).

What is the SMILES notation for 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)?

The canonical SMILES for 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane) is C.CC(=O)Cc1ccc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN1Cc2cnc3ccc(Cl)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.[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 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)?

The InChIKey is GCZZXILFEZTSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O2.C18H12ClF3N4O.4C18H15P.C13H19BN2O3.C11H17BN2O2.CH4.Pd/c1-15(35)10-19-7-6-16(12-30-19)21-8-9-22-23(32-21)24-17(13-31-22)14-33(2)25(36)34(24)20-5-3-4-18(11-20)26(27,28)29;1-25-9-10-8-23-13-5-6-14(19)24-15(13)16(10)26(17(25)27)12-4-2-3-11(7-12)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(17)16-11-7-6-10(8-15-11)14-18-12(2,3)13(4,5)19-14;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;;/h3-9,11-13H,10,14H2,1-2H3;2-8H,9H2,1H3;4*1-15H;6-8H,1-5H3,(H,15,16,17);5-7H,1-4H3,(H2,13,14);1H4;.

What are the key properties of 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane)?

9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane) has a molecular weight of 2538.07 g/mol, XLogP of 27.27, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;methane;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-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)pyridin-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158219000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).