sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide

C134H149BBrCl2N20NaO13P2PdS3 — CID 158431630

About sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide

sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide (PubChem CID 158431630) has the molecular formula C134H149BBrCl2N20NaO13P2PdS3 and a molecular weight of 2696.97 g/mol. Its IUPAC name is sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide.

Molecular Properties

• Compound Name: sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide
• PubChem CID: 158431630
• Molecular Formula: C134H149BBrCl2N20NaO13P2PdS3
• Molecular Weight: 2696.97 g/mol
• Exact Mass: 2692.78
• IUPAC Name: sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide
• SMILES: CC(C)=CB(O)O.CC(C)=Cc1cnc2c(c1)c(-c1cnn(CCN3CCOCC3)c1)cn2S(=O)(=O)c1ccccc1.CC(C)Cc1cnc2[nH]cc(-c3cnn(CCN4CCOCC4)c3)c2c1.CC(C)Cc1cnc2c(c1)c(-c1cnn(CCN3CCOCC3)c1)cn2S(=O)(=O)c1ccccc1.Cl[Pd]Cl.O=S(=O)(c1ccccc1)n1cc(-c2cnn(CCN3CCOCC3)c2)c2cc(Br)cnc21.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H31N5O3S.C26H29N5O3S.C22H22BrN5O3S.C20H27N5O.2C18H15P.C4H9BO2.2ClH.Na.H2O.Pd/c2*1-20(2)14-21-15-24-25(22-17-28-30(18-22)9-8-29-10-12-34-13-11-29)19-31(26(24)27-16-21)35(32,33)23-6-4-3-5-7-23;23-18-12-20-21(17-13-25-27(15-17)7-6-26-8-10-31-11-9-26)16-28(22(20)24-14-18)32(29,30)19-4-2-1-3-5-19;1-15(2)9-16-10-18-19(13-22-20(18)21-11-16)17-12-23-25(14-17)4-3-24-5-7-26-8-6-24;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3-5(6)7;;;;;/h3-7,15-20H,8-14H2,1-2H3;3-7,14-19H,8-13H2,1-2H3;1-5,12-16H,6-11H2;10-15H,3-9H2,1-2H3,(H,21,22);2*1-15H;3,6-7H,1-2H3;2*1H;;1H2;/q;;;;;;;;;+1;;+2/p-3
• InChIKey: HBSLPZFYUIKROW-UHFFFAOYSA-K
• XLogP: 18.81
• TPSA: 376.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2696.97
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide?

The IUPAC name of sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide (CID 158431630) is sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide.

What is the SMILES notation for sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide?

The canonical SMILES for sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide is CC(C)=CB(O)O.CC(C)=Cc1cnc2c(c1)c(-c1cnn(CCN3CCOCC3)c1)cn2S(=O)(=O)c1ccccc1.CC(C)Cc1cnc2[nH]cc(-c3cnn(CCN4CCOCC4)c3)c2c1.CC(C)Cc1cnc2c(c1)c(-c1cnn(CCN3CCOCC3)c1)cn2S(=O)(=O)c1ccccc1.Cl[Pd]Cl.O=S(=O)(c1ccccc1)n1cc(-c2cnn(CCN3CCOCC3)c2)c2cc(Br)cnc21.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide?

The InChIKey is HBSLPZFYUIKROW-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H31N5O3S.C26H29N5O3S.C22H22BrN5O3S.C20H27N5O.2C18H15P.C4H9BO2.2ClH.Na.H2O.Pd/c2*1-20(2)14-21-15-24-25(22-17-28-30(18-22)9-8-29-10-12-34-13-11-29)19-31(26(24)27-16-21)35(32,33)23-6-4-3-5-7-23;23-18-12-20-21(17-13-25-27(15-17)7-6-26-8-10-31-11-9-26)16-28(22(20)24-14-18)32(29,30)19-4-2-1-3-5-19;1-15(2)9-16-10-18-19(13-22-20(18)21-11-16)17-12-23-25(14-17)4-3-24-5-7-26-8-6-24;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3-5(6)7;;;;;/h3-7,15-20H,8-14H2,1-2H3;3-7,14-19H,8-13H2,1-2H3;1-5,12-16H,6-11H2;10-15H,3-9H2,1-2H3,(H,21,22);2*1-15H;3,6-7H,1-2H3;2*1H;;1H2;/q;;;;;;;;;+1;;+2/p-3.

What are the key properties of sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide?

sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide has a molecular weight of 2696.97 g/mol, XLogP of 18.81, 34 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[2-[4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;dichloropalladium;2-methylprop-1-enylboronic acid;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;bis(triphenylphosphane);hydroxide is sourced from PubChem (CID 158431630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).