1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one

C56H65BBrN7O8 — CID 158447637

About 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one

1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one (PubChem CID 158447637) has the molecular formula C56H65BBrN7O8 and a molecular weight of 1054.89 g/mol. Its IUPAC name is 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one.

Molecular Properties

• Compound Name: 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one
• PubChem CID: 158447637
• Molecular Formula: C56H65BBrN7O8
• Molecular Weight: 1054.89 g/mol
• Exact Mass: 1053.42
• IUPAC Name: 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one
• SMILES: CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1ccc2c(c1)N(C)C1(CCN(c3ccc(Br)cc3)C1=O)C2.COc1ccc2c(c1)N(C)C1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2
• InChI: InChI=1S/C23H23N3O2.C19H19BrN2O2.C14H23BN2O4/c1-25-21-13-20(28-2)8-5-17(21)14-23(25)10-12-26(22(23)27)19-6-3-16(4-7-19)18-9-11-24-15-18;1-21-17-11-16(24-2)8-3-13(17)12-19(21)9-10-22(18(19)23)15-6-4-14(20)5-7-15;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h3-9,13,15H,10-12,14H2,1-2H3;3-8,11H,9-10,12H2,1-2H3;8-9H,1-7H3
• InChIKey: HDOVMESGPYHXHF-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 140.50 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.89
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one?

The IUPAC name of 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one (CID 158447637) is 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one.

What is the SMILES notation for 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one?

The canonical SMILES for 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one is CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1ccc2c(c1)N(C)C1(CCN(c3ccc(Br)cc3)C1=O)C2.COc1ccc2c(c1)N(C)C1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2.

What is the InChIKey of 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one?

The InChIKey is HDOVMESGPYHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2.C19H19BrN2O2.C14H23BN2O4/c1-25-21-13-20(28-2)8-5-17(21)14-23(25)10-12-26(22(23)27)19-6-3-16(4-7-19)18-9-11-24-15-18;1-21-17-11-16(24-2)8-3-13(17)12-19(21)9-10-22(18(19)23)15-6-4-14(20)5-7-15;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h3-9,13,15H,10-12,14H2,1-2H3;3-8,11H,9-10,12H2,1-2H3;8-9H,1-7H3.

What are the key properties of 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one?

1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one has a molecular weight of 1054.89 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(4-bromophenyl)-6-methoxy-1-methylspiro[3H-indole-2,3'-pyrrolidine]-2'-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1-methyl-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[3H-indole-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 158447637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).