disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)

C106H86BBr2F5N8Na2O8P4PdS — CID 167579497

IUPACdisodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2ccc(F)nc2)OC1(C)C.N#Cc1cnn2cc(Br)cc(-c3ccc(F)nc3)c12.N#Cc1cnn2cc(Br)cc(OS(=O)(=O)C(F)(F)F)c12.O=CO[O-].[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/4C18H15P.C13H6BrFN4.C11H15BFNO2.C9H3BrF3N3O3S.CH2O3.2Na.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-10-3-11(8-1-2-12(15)17-5-8)13-9(4-16)6-18-19(13)7-10;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;10-6-1-7(19-20(17,18)9(11,12)13)8-5(2-14)3-15-16(8)4-6;2-1-4-3;;;;/h4*1-15H;1-3,5-7H;5-7H,1-4H3;1,3-4H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyLOHPUBBCEOKLKQ-UHFFFAOYSA-M
MW2173.87 g/mol
LogP13.22
Rot. Bonds17

About disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)

disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) (PubChem CID 167579497) has the molecular formula C106H86BBr2F5N8Na2O8P4PdS and a molecular weight of 2173.87 g/mol. Its IUPAC name is disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedisodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
PubChem CID167579497
Molecular FormulaC106H86BBr2F5N8Na2O8P4PdS
Molecular Weight2173.87 g/mol
Exact Mass2170.24
IUPAC Namedisodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2ccc(F)nc2)OC1(C)C.N#Cc1cnn2cc(Br)cc(-c3ccc(F)nc3)c12.N#Cc1cnn2cc(Br)cc(OS(=O)(=O)C(F)(F)F)c12.O=CO[O-].[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/4C18H15P.C13H6BrFN4.C11H15BFNO2.C9H3BrF3N3O3S.CH2O3.2Na.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-10-3-11(8-1-2-12(15)17-5-8)13-9(4-16)6-18-19(13)7-10;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;10-6-1-7(19-20(17,18)9(11,12)13)8-5(2-14)3-15-16(8)4-6;2-1-4-3;;;;/h4*1-15H;1-3,5-7H;5-7H,1-4H3;1,3-4H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyLOHPUBBCEOKLKQ-UHFFFAOYSA-M
XLogP13.22
TPSA219.15 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002173.87
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

disodium;4-bromo-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
CID 167601208
4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride
CID 164963356
(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
CID 135193451
4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920671
(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
CID 172794526
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde
CID 167570208
6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155296144
tert-butyl 4-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 155181405
disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;hydride;2-methoxy-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzaldehyde;2-methoxy-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide;2-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde;oxido formate
CID 160783537
6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920773
[3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 166792897
dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 159995747

Frequently Asked Questions

What is the IUPAC name of disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) (CID 167579497) is disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) is CC1(C)OB(c2ccc(F)nc2)OC1(C)C.N#Cc1cnn2cc(Br)cc(-c3ccc(F)nc3)c12.N#Cc1cnn2cc(Br)cc(OS(=O)(=O)C(F)(F)F)c12.O=CO[O-].[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;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?
The InChIKey is LOHPUBBCEOKLKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/4C18H15P.C13H6BrFN4.C11H15BFNO2.C9H3BrF3N3O3S.CH2O3.2Na.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-10-3-11(8-1-2-12(15)17-5-8)13-9(4-16)6-18-19(13)7-10;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;10-6-1-7(19-20(17,18)9(11,12)13)8-5(2-14)3-15-16(8)4-6;2-1-4-3;;;;/h4*1-15H;1-3,5-7H;5-7H,1-4H3;1,3-4H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.
What are the key properties of disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?
disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2173.87 g/mol, XLogP of 13.22, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167579497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).