lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium

C104H109BBr4Cl3F6LiN14O20V — CID 167632393

About lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium

lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium (PubChem CID 167632393) has the molecular formula C104H109BBr4Cl3F6LiN14O20V and a molecular weight of 2483.75 g/mol. Its IUPAC name is lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium.

Molecular Properties

• Compound Name: lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium
• PubChem CID: 167632393
• Molecular Formula: C104H109BBr4Cl3F6LiN14O20V
• Molecular Weight: 2483.75 g/mol
• Exact Mass: 2477.33
• IUPAC Name: lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium
• SMILES: C1CCOC1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2c(c1)NC(=O)C2.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CCCCC1.N[N-]O.Nc1ccc(OC(F)(F)Cl)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2c(c1)NC(=O)C21CCCCC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2c(c(-c3ccn[nH]3)c1)C1(CCCCC1)C(=O)N2.O=C(O)c1cc(Br)c2c(c1)NC(=O)C21CCCCC1.[Li+].[V]
• InChI: InChI=1S/C24H21ClF2N4O3.C21H18BrClF2N2O3.C15H16BrNO3.C14H14BrNO3.C10H8BrNO3.C9H15BN2O2.C7H6ClF2NO.C4H8O.Li.H3N2O.V/c25-24(26,27)34-16-6-4-15(5-7-16)29-21(32)14-12-17(18-8-11-28-31-18)20-19(13-14)30-22(33)23(20)9-2-1-3-10-23;22-15-10-12(11-16-17(15)20(19(29)27-16)8-2-1-3-9-20)18(28)26-13-4-6-14(7-5-13)30-21(23,24)25;1-20-13(18)9-7-10(16)12-11(8-9)17-14(19)15(12)5-3-2-4-6-15;15-9-6-8(12(17)18)7-10-11(9)14(13(19)16-10)4-2-1-3-5-14;1-15-10(14)5-2-7(11)6-4-9(13)12-8(6)3-5;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;1-2-4-5-3-1;;1-2-3;/h4-8,11-13H,1-3,9-10H2,(H,28,31)(H,29,32)(H,30,33);4-7,10-11H,1-3,8-9H2,(H,26,28)(H,27,29);7-8H,2-6H2,1H3,(H,17,19);6-7H,1-5H2,(H,16,19)(H,17,18);2-3H,4H2,1H3,(H,12,13);5-6H,1-4H3,(H,11,12);1-4H,11H2;1-4H2;;3H,1H2;/q;;;;;;;;+1;-1
• InChIKey: MMXDVWYRKPRWGG-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 492.71 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.75
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium?

The IUPAC name of lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium (CID 167632393) is lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium.

What is the SMILES notation for lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium?

The canonical SMILES for lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium is C1CCOC1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2c(c1)NC(=O)C2.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CCCCC1.N[N-]O.Nc1ccc(OC(F)(F)Cl)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2c(c1)NC(=O)C21CCCCC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2c(c(-c3ccn[nH]3)c1)C1(CCCCC1)C(=O)N2.O=C(O)c1cc(Br)c2c(c1)NC(=O)C21CCCCC1.[Li+].[V].

What is the InChIKey of lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium?

The InChIKey is MMXDVWYRKPRWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N4O3.C21H18BrClF2N2O3.C15H16BrNO3.C14H14BrNO3.C10H8BrNO3.C9H15BN2O2.C7H6ClF2NO.C4H8O.Li.H3N2O.V/c25-24(26,27)34-16-6-4-15(5-7-16)29-21(32)14-12-17(18-8-11-28-31-18)20-19(13-14)30-22(33)23(20)9-2-1-3-10-23;22-15-10-12(11-16-17(15)20(19(29)27-16)8-2-1-3-9-20)18(28)26-13-4-6-14(7-5-13)30-21(23,24)25;1-20-13(18)9-7-10(16)12-11(8-9)17-14(19)15(12)5-3-2-4-6-15;15-9-6-8(12(17)18)7-10-11(9)14(13(19)16-10)4-2-1-3-5-14;1-15-10(14)5-2-7(11)6-4-9(13)12-8(6)3-5;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;1-2-4-5-3-1;;1-2-3;/h4-8,11-13H,1-3,9-10H2,(H,28,31)(H,29,32)(H,30,33);4-7,10-11H,1-3,8-9H2,(H,26,28)(H,27,29);7-8H,2-6H2,1H3,(H,17,19);6-7H,1-5H2,(H,16,19)(H,17,18);2-3H,4H2,1H3,(H,12,13);5-6H,1-4H3,(H,11,12);1-4H,11H2;1-4H2;;3H,1H2;/q;;;;;;;;+1;-1;.

What are the key properties of lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium?

lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium has a molecular weight of 2483.75 g/mol, XLogP of 20.66, 15 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;amino(hydroxy)azanide;4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclohexane]-6-carboxamide;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-carboxylate;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium is sourced from PubChem (CID 167632393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).