dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)

C184H173BBrCl2Cs2N23O24P2PdS3 — CID 158575790

IUPACdicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)
SMILESC.C.CC1(C)OB(c2cnn(C3COC3)c2)OC1(C)C.CC1(COc2ccc(-c3c[nH]c4ncc(-c5cnn(C6COC6)c5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3c[nH]c4ncc(C5=CCN=C5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(-c5cnn(C6COC6)c5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5=CCN=C5)cc34)cc2C#N)COC1.Cl[Pd]Cl.O=CO[O-].[Cs+].[Cs+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H27N5O5S.C29H24N4O4S.C25H20BrN3O4S.C25H23N5O3.C23H20N4O2.2C18H15P.C12H19BN2O3.CH2O3.2CH4.2ClH.2Cs.Pd.H/c1-31(18-40-19-31)20-41-29-8-7-21(9-22(29)11-32)28-15-36(42(37,38)26-5-3-2-4-6-26)30-27(28)10-23(12-33-30)24-13-34-35(14-24)25-16-39-17-25;1-29(17-36-18-29)19-37-27-8-7-20(11-22(27)13-30)26-16-33(38(34,35)24-5-3-2-4-6-24)28-25(26)12-23(15-32-28)21-9-10-31-14-21;1-25(14-32-15-25)16-33-23-8-7-17(9-18(23)11-27)22-13-29(24-21(22)10-19(26)12-28-24)34(30,31)20-5-3-2-4-6-20;1-25(13-32-14-25)15-33-23-3-2-16(4-17(23)6-26)22-9-28-24-21(22)5-18(7-27-24)19-8-29-30(10-19)20-11-31-12-20;1-23(12-28-13-23)14-29-21-3-2-15(6-17(21)8-24)20-11-27-22-19(20)7-18(10-26-22)16-4-5-25-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)18-13(17-11)9-5-14-15(6-9)10-7-16-8-10;2-1-4-3;;;;;;;;/h2-10,12-15,25H,16-20H2,1H3;2-9,11-12,14-16H,10,17-19H2,1H3;2-10,12-13H,14-16H2,1H3;2-5,7-10,20H,11-15H2,1H3,(H,27,28);2-4,6-7,9-11H,5,12-14H2,1H3,(H,26,27);2*1-15H;5-6,10H,7-8H2,1-4H3;1,3H;2*1H4;2*1H;;;;/q;;;;;;;;;;;;;2*+1;+2;-1/p-3
InChIKeyXKHGJRLGRQJCEL-UHFFFAOYSA-K
MW3782.55 g/mol
LogP25.13
Rot. Bonds41

About dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)

dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane) (PubChem CID 158575790) has the molecular formula C184H173BBrCl2Cs2N23O24P2PdS3 and a molecular weight of 3782.55 g/mol. Its IUPAC name is dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane).

Molecular Properties

Compound Namedicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)
PubChem CID158575790
Molecular FormulaC184H173BBrCl2Cs2N23O24P2PdS3
Molecular Weight3782.55 g/mol
Exact Mass3777.75
IUPAC Namedicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)
SMILESC.C.CC1(C)OB(c2cnn(C3COC3)c2)OC1(C)C.CC1(COc2ccc(-c3c[nH]c4ncc(-c5cnn(C6COC6)c5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3c[nH]c4ncc(C5=CCN=C5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(-c5cnn(C6COC6)c5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5=CCN=C5)cc34)cc2C#N)COC1.Cl[Pd]Cl.O=CO[O-].[Cs+].[Cs+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H27N5O5S.C29H24N4O4S.C25H20BrN3O4S.C25H23N5O3.C23H20N4O2.2C18H15P.C12H19BN2O3.CH2O3.2CH4.2ClH.2Cs.Pd.H/c1-31(18-40-19-31)20-41-29-8-7-21(9-22(29)11-32)28-15-36(42(37,38)26-5-3-2-4-6-26)30-27(28)10-23(12-33-30)24-13-34-35(14-24)25-16-39-17-25;1-29(17-36-18-29)19-37-27-8-7-20(11-22(27)13-30)26-16-33(38(34,35)24-5-3-2-4-6-24)28-25(26)12-23(15-32-28)21-9-10-31-14-21;1-25(14-32-15-25)16-33-23-8-7-17(9-18(23)11-27)22-13-29(24-21(22)10-19(26)12-28-24)34(30,31)20-5-3-2-4-6-20;1-25(13-32-14-25)15-33-23-3-2-16(4-17(23)6-26)22-9-28-24-21(22)5-18(7-27-24)19-8-29-30(10-19)20-11-31-12-20;1-23(12-28-13-23)14-29-21-3-2-15(6-17(21)8-24)20-11-27-22-19(20)7-18(10-26-22)16-4-5-25-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)18-13(17-11)9-5-14-15(6-9)10-7-16-8-10;2-1-4-3;;;;;;;;/h2-10,12-15,25H,16-20H2,1H3;2-9,11-12,14-16H,10,17-19H2,1H3;2-10,12-13H,14-16H2,1H3;2-5,7-10,20H,11-15H2,1H3,(H,27,28);2-4,6-7,9-11H,5,12-14H2,1H3,(H,26,27);2*1-15H;5-6,10H,7-8H2,1-4H3;1,3H;2*1H4;2*1H;;;;/q;;;;;;;;;;;;;2*+1;+2;-1/p-3
InChIKeyXKHGJRLGRQJCEL-UHFFFAOYSA-K
XLogP25.13
TPSA598.18 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds41
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003782.55
LogP ≤ 525.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane) with MolForge

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Related Compounds

dicesium;5-[1-(benzenesulfonyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;tert-butyl 4-[4-[1-(benzenesulfonyl)-3-[3-cyano-4-(oxan-4-yloxy)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formaldehyde;formic acid;hydride;methane;5-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;oxido formate
CID 157073822
dicesium;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine;5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;dichloropalladium;hydride;2-(oxan-4-yloxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;oxido formate;bis(triphenylphosphane)
CID 158366916
1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 158918112
dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;5-[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;(4-cyanophenyl)boronic acid;dichloropalladium;hydride;5-[5-(4-isocyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;methane;oxido formate;bis(triphenylphosphane)
CID 159642794
dicesium;5-[1-(benzenesulfonyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)pyridine-3-carbonitrile;5-[5-[1-[1-(benzenesulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)pyridine-3-carbonitrile;5-[5-(1-cyclohexylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)pyridine-3-carbonitrile;hydride;5-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)pyridine-3-carbonitrile;oxido formate
CID 160359041
dicesium;1-(benzenesulfonyl)-3-bromo-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-[1-(benzenesulfonyl)-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;dichloropalladium;hydride;methane;5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;oxido formate;bis(triphenylphosphane)
CID 162091639

Frequently Asked Questions

What is the IUPAC name of dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)?
The IUPAC name of dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane) (CID 158575790) is dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane).
What is the SMILES notation for dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)?
The canonical SMILES for dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane) is C.C.CC1(C)OB(c2cnn(C3COC3)c2)OC1(C)C.CC1(COc2ccc(-c3c[nH]c4ncc(-c5cnn(C6COC6)c5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3c[nH]c4ncc(C5=CCN=C5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(-c5cnn(C6COC6)c5)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)cc2C#N)COC1.CC1(COc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5=CCN=C5)cc34)cc2C#N)COC1.Cl[Pd]Cl.O=CO[O-].[Cs+].[Cs+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)?
The InChIKey is XKHGJRLGRQJCEL-UHFFFAOYSA-K. The full InChI is InChI=1S/C31H27N5O5S.C29H24N4O4S.C25H20BrN3O4S.C25H23N5O3.C23H20N4O2.2C18H15P.C12H19BN2O3.CH2O3.2CH4.2ClH.2Cs.Pd.H/c1-31(18-40-19-31)20-41-29-8-7-21(9-22(29)11-32)28-15-36(42(37,38)26-5-3-2-4-6-26)30-27(28)10-23(12-33-30)24-13-34-35(14-24)25-16-39-17-25;1-29(17-36-18-29)19-37-27-8-7-20(11-22(27)13-30)26-16-33(38(34,35)24-5-3-2-4-6-24)28-25(26)12-23(15-32-28)21-9-10-31-14-21;1-25(14-32-15-25)16-33-23-8-7-17(9-18(23)11-27)22-13-29(24-21(22)10-19(26)12-28-24)34(30,31)20-5-3-2-4-6-20;1-25(13-32-14-25)15-33-23-3-2-16(4-17(23)6-26)22-9-28-24-21(22)5-18(7-27-24)19-8-29-30(10-19)20-11-31-12-20;1-23(12-28-13-23)14-29-21-3-2-15(6-17(21)8-24)20-11-27-22-19(20)7-18(10-26-22)16-4-5-25-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)18-13(17-11)9-5-14-15(6-9)10-7-16-8-10;2-1-4-3;;;;;;;;/h2-10,12-15,25H,16-20H2,1H3;2-9,11-12,14-16H,10,17-19H2,1H3;2-10,12-13H,14-16H2,1H3;2-5,7-10,20H,11-15H2,1H3,(H,27,28);2-4,6-7,9-11H,5,12-14H2,1H3,(H,26,27);2*1-15H;5-6,10H,7-8H2,1-4H3;1,3H;2*1H4;2*1H;;;;/q;;;;;;;;;;;;;2*+1;+2;-1/p-3.
What are the key properties of dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane)?
dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane) has a molecular weight of 3782.55 g/mol, XLogP of 25.13, 41 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;5-[1-(benzenesulfonyl)-5-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile;dichloropalladium;hydride;methane;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-[(3-methyloxetan-3-yl)methoxy]-5-[5-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile;1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate;bis(triphenylphosphane) is sourced from PubChem (CID 158575790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).