9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)

C129H107BClF6N11O4P4Pd — CID 157313097

About 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)

9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane) (PubChem CID 157313097) has the molecular formula C129H107BClF6N11O4P4Pd and a molecular weight of 2265.92 g/mol. Its IUPAC name is 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)
• PubChem CID: 157313097
• Molecular Formula: C129H107BClF6N11O4P4Pd
• Molecular Weight: 2265.92 g/mol
• Exact Mass: 2263.62
• IUPAC Name: 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)
• SMILES: CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CN1Cc2cnc3ccc(-c4cnc5c(c4)C=CC5)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.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/C26H18F3N5O.C18H12ClF3N4O.4C18H15P.C13H17BN2O2.Pd/c1-33-14-17-13-31-22-9-8-21(16-10-15-4-2-7-20(15)30-12-16)32-23(22)24(17)34(25(33)35)19-6-3-5-18(11-19)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;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;/h2-6,8-13H,7,14H2,1H3;2-8H,9H2,1H3;4*1-15H;5-8H,1-4H3,(H,15,16)
• InChIKey: BDGODPCXVPUWGN-UHFFFAOYSA-N
• XLogP: 26.63
• TPSA: 158.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2265.92
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)?

The IUPAC name of 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane) (CID 157313097) is 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;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;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)?

The canonical SMILES for 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane) is CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CN1Cc2cnc3ccc(-c4cnc5c(c4)C=CC5)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.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;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)?

The InChIKey is BDGODPCXVPUWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O.C18H12ClF3N4O.4C18H15P.C13H17BN2O2.Pd/c1-33-14-17-13-31-22-9-8-21(16-10-15-4-2-7-20(15)30-12-16)32-23(22)24(17)34(25(33)35)19-6-3-5-18(11-19)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;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;/h2-6,8-13H,7,14H2,1H3;2-8H,9H2,1H3;4*1-15H;5-8H,1-4H3,(H,15,16);.

What are the key properties of 9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane)?

9-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane) has a molecular weight of 2265.92 g/mol, XLogP of 26.63, 16 rotatable bonds, 1 hydrogen bond donors, and 10 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;9-(7H-cyclopenta[b]pyridin-3-yl)-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)-1H-pyrrolo[2,3-b]pyridine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157313097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).