disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)

C164H132BClF9N15Na2O12P4Pd — CID 159794602

IUPACdisodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)
SMILESCC(C)(C)OC(=O)n1cc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)c2cccnc21.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.O=CO[O-].O=c1ccc2cnc3ccc(-c4c[nH]c5ncccc45)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H22F3N5O3.C25H14F3N5O.C18H25BN2O4.C18H9ClF3N3O.4C18H15P.CH2O3.2Na.Pd.H/c1-29(2,3)41-28(40)37-16-21(20-8-5-13-34-27(20)37)22-10-11-23-25(36-22)26-17(15-35-23)9-12-24(39)38(26)19-7-4-6-18(14-19)30(31,32)33;26-25(27,28)15-3-1-4-16(11-15)33-21(34)9-6-14-12-30-20-8-7-19(32-22(20)23(14)33)18-13-31-24-17(18)5-2-10-29-24;1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;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;2-1-4-3;;;;/h4-16H,1-3H3;1-13H,(H,29,31);8-11H,1-7H3;1-9H;4*1-15H;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeySEFVBPSYUKZVAT-UHFFFAOYSA-M
MW2998.50 g/mol
LogP26.31
Rot. Bonds19

About disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)

disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) (PubChem CID 159794602) has the molecular formula C164H132BClF9N15Na2O12P4Pd and a molecular weight of 2998.50 g/mol. Its IUPAC name is disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedisodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)
PubChem CID159794602
Molecular FormulaC164H132BClF9N15Na2O12P4Pd
Molecular Weight2998.50 g/mol
Exact Mass2995.76
IUPAC Namedisodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)
SMILESCC(C)(C)OC(=O)n1cc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)c2cccnc21.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.O=CO[O-].O=c1ccc2cnc3ccc(-c4c[nH]c5ncccc45)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H22F3N5O3.C25H14F3N5O.C18H25BN2O4.C18H9ClF3N3O.4C18H15P.CH2O3.2Na.Pd.H/c1-29(2,3)41-28(40)37-16-21(20-8-5-13-34-27(20)37)22-10-11-23-25(36-22)26-17(15-35-23)9-12-24(39)38(26)19-7-4-6-18(14-19)30(31,32)33;26-25(27,28)15-3-1-4-16(11-15)33-21(34)9-6-14-12-30-20-8-7-19(32-22(20)23(14)33)18-13-31-24-17(18)5-2-10-29-24;1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;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;2-1-4-3;;;;/h4-16H,1-3H3;1-13H,(H,29,31);8-11H,1-7H3;1-9H;4*1-15H;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeySEFVBPSYUKZVAT-UHFFFAOYSA-M
XLogP26.31
TPSA328.08 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002998.50
LogP ≤ 526.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;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

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
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
CID 159813883
CID 159813883

Frequently Asked Questions

What is the IUPAC name of disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
The IUPAC name of disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) (CID 159794602) is disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane).
What is the SMILES notation for disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
The canonical SMILES for disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) is CC(C)(C)OC(=O)n1cc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)c2cccnc21.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.O=CO[O-].O=c1ccc2cnc3ccc(-c4c[nH]c5ncccc45)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[H-].[Na+].[Na+].[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 disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
The InChIKey is SEFVBPSYUKZVAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H22F3N5O3.C25H14F3N5O.C18H25BN2O4.C18H9ClF3N3O.4C18H15P.CH2O3.2Na.Pd.H/c1-29(2,3)41-28(40)37-16-21(20-8-5-13-34-27(20)37)22-10-11-23-25(36-22)26-17(15-35-23)9-12-24(39)38(26)19-7-4-6-18(14-19)30(31,32)33;26-25(27,28)15-3-1-4-16(11-15)33-21(34)9-6-14-12-30-20-8-7-19(32-22(20)23(14)33)18-13-31-24-17(18)5-2-10-29-24;1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;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;2-1-4-3;;;;/h4-16H,1-3H3;1-13H,(H,29,31);8-11H,1-7H3;1-9H;4*1-15H;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1.
What are the key properties of disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) has a molecular weight of 2998.50 g/mol, XLogP of 26.31, 19 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;tert-butyl 3-[9-oxo-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;hydride;oxido formate;palladium;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159794602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).