sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)

C82H95BBr2Cl4F7N10NaO11V7 — CID 167541179

About sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)

sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium) (PubChem CID 167541179) has the molecular formula C82H95BBr2Cl4F7N10NaO11V7 and a molecular weight of 2222.74 g/mol. Its IUPAC name is sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium).

Molecular Properties

• Compound Name: sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)
• PubChem CID: 167541179
• Molecular Formula: C82H95BBr2Cl4F7N10NaO11V7
• Molecular Weight: 2222.74 g/mol
• Exact Mass: 2218.03
• IUPAC Name: sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)
• SMILES: CC1(C)C(=O)Nc2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CN(C)CCCl.CN(C)CCN1C(=O)C(C)(C)c2c(-c3ccn[nH]3)cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc21.CN(C)CCN1C(=O)C(C)(C)c2c(Br)cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc21.[2H]CF.[H-].[Na+].[V].[V].[V].[V].[V].[V].[V]
• InChI: InChI=1S/C26H27ClF2N4O3.C23H24BrClF2N2O3.C19H15BrClF2NO3.C9H15BN2O2.C4H10ClN.CH3F.Na.7V.H/c1-25(2)23-19(20-9-10-30-31-20)14-17(15-21(23)33(24(25)35)12-11-32(3)4)22(34)13-16-5-7-18(8-6-16)36-26(27,28)29;1-22(2)20-17(24)12-15(13-18(20)29(21(22)31)10-9-28(3)4)19(30)11-14-5-7-16(8-6-14)32-23(25,26)27;1-18(2)16-13(20)8-11(9-14(16)24-17(18)26)15(25)7-10-3-5-12(6-4-10)27-19(21,22)23;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-6(2)4-3-5;1-2;;;;;;;;;/h5-10,14-15H,11-13H2,1-4H3,(H,30,31);5-8,12-13H,9-11H2,1-4H3;3-6,8-9H,7H2,1-2H3,(H,24,26);5-6H,1-4H3,(H,11,12);3-4H2,1-2H3;1H3;;;;;;;;;/q;;;;;;+1;;;;;;;;-1/i;;;;;1D
• InChIKey: HIUVASYUKVYBIJ-JVEWZJKWSA-N
• XLogP: 14.54
• TPSA: 234.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.74
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)?

The IUPAC name of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium) (CID 167541179) is sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium).

What is the SMILES notation for sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)?

The canonical SMILES for sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium) is CC1(C)C(=O)Nc2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CN(C)CCCl.CN(C)CCN1C(=O)C(C)(C)c2c(-c3ccn[nH]3)cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc21.CN(C)CCN1C(=O)C(C)(C)c2c(Br)cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc21.[2H]CF.[H-].[Na+].[V].[V].[V].[V].[V].[V].[V].

What is the InChIKey of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)?

The InChIKey is HIUVASYUKVYBIJ-JVEWZJKWSA-N. The full InChI is InChI=1S/C26H27ClF2N4O3.C23H24BrClF2N2O3.C19H15BrClF2NO3.C9H15BN2O2.C4H10ClN.CH3F.Na.7V.H/c1-25(2)23-19(20-9-10-30-31-20)14-17(15-21(23)33(24(25)35)12-11-32(3)4)22(34)13-16-5-7-18(8-6-16)36-26(27,28)29;1-22(2)20-17(24)12-15(13-18(20)29(21(22)31)10-9-28(3)4)19(30)11-14-5-7-16(8-6-14)32-23(25,26)27;1-18(2)16-13(20)8-11(9-14(16)24-17(18)26)15(25)7-10-3-5-12(6-4-10)27-19(21,22)23;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-6(2)4-3-5;1-2;;;;;;;;;/h5-10,14-15H,11-13H2,1-4H3,(H,30,31);5-8,12-13H,9-11H2,1-4H3;3-6,8-9H,7H2,1-2H3,(H,24,26);5-6H,1-4H3,(H,11,12);3-4H2,1-2H3;1H3;;;;;;;;;/q;;;;;;+1;;;;;;;;-1/i;;;;;1D;;;;;;;;;.

What are the key properties of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium)?

sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium) has a molecular weight of 2222.74 g/mol, XLogP of 14.54, 25 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylindol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;hydride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;heptakis(vanadium) is sourced from PubChem (CID 167541179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).