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

C59H69BBrN7O10 — CID 158122124

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

tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (PubChem CID 158122124) has the molecular formula C59H69BBrN7O10 and a molecular weight of 1126.96 g/mol. Its IUPAC name is tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.

Molecular Properties

• Compound Name: tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
• PubChem CID: 158122124
• Molecular Formula: C59H69BBrN7O10
• Molecular Weight: 1126.96 g/mol
• Exact Mass: 1125.44
• IUPAC Name: tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
• SMILES: CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1ccc2c(c1)N(C(=O)OC(C)(C)C)C1(CCN(c3ccc(Br)cc3)C1=O)C2.COc1ccc2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2
• InChI: InChI=1S/C23H25BrN2O4.C22H21N3O2.C14H23BN2O4/c1-22(2,3)30-21(28)26-19-13-18(29-4)10-5-15(19)14-23(26)11-12-25(20(23)27)17-8-6-16(24)7-9-17;1-27-19-7-4-16-13-22(24-20(16)12-19)9-11-25(21(22)26)18-5-2-15(3-6-18)17-8-10-23-14-17;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h5-10,13H,11-12,14H2,1-4H3;2-8,12,14,24H,9-11,13H2,1H3;8-9H,1-7H3
• InChIKey: FRSQQLBBJXPUBH-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 175.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1126.96
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (CID 158122124) is tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.

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

The canonical SMILES for tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1ccc2c(c1)N(C(=O)OC(C)(C)C)C1(CCN(c3ccc(Br)cc3)C1=O)C2.COc1ccc2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2.

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

The InChIKey is FRSQQLBBJXPUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O4.C22H21N3O2.C14H23BN2O4/c1-22(2,3)30-21(28)26-19-13-18(29-4)10-5-15(19)14-23(26)11-12-25(20(23)27)17-8-6-16(24)7-9-17;1-27-19-7-4-16-13-22(24-20(16)12-19)9-11-25(21(22)26)18-5-2-15(3-6-18)17-8-10-23-14-17;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h5-10,13H,11-12,14H2,1-4H3;2-8,12,14,24H,9-11,13H2,1H3;8-9H,1-7H3.

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

tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one has a molecular weight of 1126.96 g/mol, XLogP of 10.20, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1'-(4-bromophenyl)-6-methoxy-2'-oxospiro[3H-indole-2,3'-pyrrolidine]-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 158122124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).