1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C70H77BBr2N10O5 — CID 161159309

About 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 161159309) has the molecular formula C70H77BBr2N10O5 and a molecular weight of 1309.07 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 161159309
• Molecular Formula: C70H77BBr2N10O5
• Molecular Weight: 1309.07 g/mol
• Exact Mass: 1306.45
• IUPAC Name: 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CN1CCCC12C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1)c1ccccc12.CN1CCCC12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C1N(Cc2ccc(Br)cc2)c2ccccc2C12CCCN2
• InChI: InChI=1S/C23H24N4O.C19H19BrN2O.C18H17BrN2O.C10H17BN2O2/c1-25-13-5-12-23(25)20-6-3-4-7-21(20)27(22(23)28)15-17-8-10-18(11-9-17)19-14-24-26(2)16-19;1-21-12-4-11-19(21)16-5-2-3-6-17(16)22(18(19)23)13-14-7-9-15(20)10-8-14;19-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)18(17(21)22)10-3-11-20-18;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h3-4,6-11,14,16H,5,12-13,15H2,1-2H3;2-3,5-10H,4,11-13H2,1H3;1-2,4-9,20H,3,10-12H2;6-7H,1-5H3
• InChIKey: UPSIIHKFRVIIMF-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 133.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1309.07
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 161159309) is 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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

The canonical SMILES for 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CN1CCCC12C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1)c1ccccc12.CN1CCCC12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C1N(Cc2ccc(Br)cc2)c2ccccc2C12CCCN2.

What is the InChIKey of 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is UPSIIHKFRVIIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C19H19BrN2O.C18H17BrN2O.C10H17BN2O2/c1-25-13-5-12-23(25)20-6-3-4-7-21(20)27(22(23)28)15-17-8-10-18(11-9-17)19-14-24-26(2)16-19;1-21-12-4-11-19(21)16-5-2-3-6-17(16)22(18(19)23)13-14-7-9-15(20)10-8-14;19-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)18(17(21)22)10-3-11-20-18;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h3-4,6-11,14,16H,5,12-13,15H2,1-2H3;2-3,5-10H,4,11-13H2,1H3;1-2,4-9,20H,3,10-12H2;6-7H,1-5H3.

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

1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1309.07 g/mol, XLogP of 11.77, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one;1-[(4-bromophenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1'-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,2'-pyrrolidine]-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 161159309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).