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)

C102H91BrFN9Na2O7P4PdS2 — CID 167601208

IUPACdisodium;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)
SMILESO=CO[O-].[H-].[H]N=S(=O)(CC(C)(C)O)c1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.[H]N=S(=O)(CC(C)(C)O)c1cc(Br)c2c(C#N)cnn2c1.[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.C17H16FN5O2S.C12H13BrN4O2S.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;1-17(2,24)10-26(20,25)13-5-14(11-3-4-15(18)21-7-11)16-12(6-19)8-22-23(16)9-13;1-12(2,18)7-20(15,19)9-3-10(13)11-8(4-14)5-16-17(11)6-9;2-1-4-3;;;;/h4*1-15H;3-5,7-9,20,24H,10H2,1-2H3;3,5-6,15,18H,7H2,1-2H3;1,3H;;;;/q;;;;;;;2*+1;;-1/p-1
InChIKeyXQZYNEWKPOSMCI-UHFFFAOYSA-M
MW1994.24 g/mol
LogP11.06
Rot. Bonds20

About 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)

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) (PubChem CID 167601208) has the molecular formula C102H91BrFN9Na2O7P4PdS2 and a molecular weight of 1994.24 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namedisodium;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)
PubChem CID167601208
Molecular FormulaC102H91BrFN9Na2O7P4PdS2
Molecular Weight1994.24 g/mol
Exact Mass1991.34
IUPAC Namedisodium;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)
SMILESO=CO[O-].[H-].[H]N=S(=O)(CC(C)(C)O)c1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.[H]N=S(=O)(CC(C)(C)O)c1cc(Br)c2c(C#N)cnn2c1.[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.C17H16FN5O2S.C12H13BrN4O2S.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;1-17(2,24)10-26(20,25)13-5-14(11-3-4-15(18)21-7-11)16-12(6-19)8-22-23(16)9-13;1-12(2,18)7-20(15,19)9-3-10(13)11-8(4-14)5-16-17(11)6-9;2-1-4-3;;;;/h4*1-15H;3-5,7-9,20,24H,10H2,1-2H3;3,5-6,15,18H,7H2,1-2H3;1,3H;;;;/q;;;;;;;2*+1;;-1/p-1
InChIKeyXQZYNEWKPOSMCI-UHFFFAOYSA-M
XLogP11.06
TPSA266.73 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.24
LogP ≤ 511.06
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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) with MolForge

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Related Compounds

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
4-bromo-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155296316
4-[6-[4-[fluoro(phenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435752
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 162767297
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide
CID 134436097
6-(2-hydroxy-2-methylpropoxy)-4-[6-(3-phenylmethoxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436245
N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425
4-[6-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156571566
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
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-methylbenzamide
CID 134434610
N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
CID 142326985

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is O=CO[O-].[H-].[H]N=S(=O)(CC(C)(C)O)c1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.[H]N=S(=O)(CC(C)(C)O)c1cc(Br)c2c(C#N)cnn2c1.[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;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)?
The InChIKey is XQZYNEWKPOSMCI-UHFFFAOYSA-M. The full InChI is InChI=1S/4C18H15P.C17H16FN5O2S.C12H13BrN4O2S.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;1-17(2,24)10-26(20,25)13-5-14(11-3-4-15(18)21-7-11)16-12(6-19)8-22-23(16)9-13;1-12(2,18)7-20(15,19)9-3-10(13)11-8(4-14)5-16-17(11)6-9;2-1-4-3;;;;/h4*1-15H;3-5,7-9,20,24H,10H2,1-2H3;3,5-6,15,18H,7H2,1-2H3;1,3H;;;;/q;;;;;;;2*+1;;-1/p-1.
What are the key properties of 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)?
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) has a molecular weight of 1994.24 g/mol, XLogP of 11.06, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 167601208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).