3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione

C94H117Br2N19O18Si4 — CID 160558318

About 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione

3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione (PubChem CID 160558318) has the molecular formula C94H117Br2N19O18Si4 and a molecular weight of 2073.24 g/mol. Its IUPAC name is 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione.

Molecular Properties

• Compound Name: 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione
• PubChem CID: 160558318
• Molecular Formula: C94H117Br2N19O18Si4
• Molecular Weight: 2073.24 g/mol
• Exact Mass: 2069.63
• IUPAC Name: 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione
• SMILES: C[Si](C)(C)CCOCN1C(=O)C2(CCC(=O)C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)C2(Cc3cc(N)cnc3C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)C2(Cc3cc([N+](=O)[O-])cnc3C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)Cc2cccnc21.Cn1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O.Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CBr)CCBr
• InChI: InChI=1S/C20H24N4O4Si.C20H26N4O2Si.C17H24N2O3Si.C14H12N4O.C13H20N2O2Si.C6H5N3O5.C4H6Br2O/c1-29(2,3)8-7-28-13-23-18-16(5-4-6-21-18)20(19(23)25)10-14-9-15(24(26)27)12-22-17(14)11-20;1-27(2,3)8-7-26-13-24-18-16(5-4-6-22-18)20(19(24)25)10-14-9-15(21)12-23-17(14)11-20;1-23(2,3)10-9-22-12-19-15-14(5-4-8-18-15)17(16(19)21)7-6-13(20)11-17;15-9-4-8-5-14(6-11(8)17-7-9)10-2-1-3-16-12(10)18-13(14)19;1-18(2,3)8-7-17-10-15-12(16)9-11-5-4-6-14-13(11)15;1-7-3-4(8(11)12)2-5(6(7)10)9(13)14;5-2-1-4(7)3-6/h4-6,9,12H,7-8,10-11,13H2,1-3H3;4-6,9,12H,7-8,10-11,13,21H2,1-3H3;4-5,8H,6-7,9-12H2,1-3H3;1-4,7H,5-6,15H2,(H,16,18,19);4-6H,7-10H2,1-3H3;2-3H,1H3;1-3H2
• InChIKey: QYZBCBACVMBHSG-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 487.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.24
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?

The IUPAC name of 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione (CID 160558318) is 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione.

What is the SMILES notation for 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?

The canonical SMILES for 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione is C[Si](C)(C)CCOCN1C(=O)C2(CCC(=O)C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)C2(Cc3cc(N)cnc3C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)C2(Cc3cc([N+](=O)[O-])cnc3C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)Cc2cccnc21.Cn1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O.Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CBr)CCBr.

What is the InChIKey of 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?

The InChIKey is QYZBCBACVMBHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4Si.C20H26N4O2Si.C17H24N2O3Si.C14H12N4O.C13H20N2O2Si.C6H5N3O5.C4H6Br2O/c1-29(2,3)8-7-28-13-23-18-16(5-4-6-21-18)20(19(23)25)10-14-9-15(24(26)27)12-22-17(14)11-20;1-27(2,3)8-7-26-13-24-18-16(5-4-6-22-18)20(19(24)25)10-14-9-15(21)12-23-17(14)11-20;1-23(2,3)10-9-22-12-19-15-14(5-4-8-18-15)17(16(19)21)7-6-13(20)11-17;15-9-4-8-5-14(6-11(8)17-7-9)10-2-1-3-16-12(10)18-13(14)19;1-18(2,3)8-7-17-10-15-12(16)9-11-5-4-6-14-13(11)15;1-7-3-4(8(11)12)2-5(6(7)10)9(13)14;5-2-1-4(7)3-6/h4-6,9,12H,7-8,10-11,13H2,1-3H3;4-6,9,12H,7-8,10-11,13,21H2,1-3H3;4-5,8H,6-7,9-12H2,1-3H3;1-4,7H,5-6,15H2,(H,16,18,19);4-6H,7-10H2,1-3H3;2-3H,1H3;1-3H2.

What are the key properties of 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?

3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione has a molecular weight of 2073.24 g/mol, XLogP of 13.83, 26 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;3-amino-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1,4-dibromobutan-2-one;1-methyl-3,5-dinitropyridin-2-one;3-nitro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one;1'-(2-trimethylsilylethoxymethyl)spiro[cyclopentane-3,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione is sourced from PubChem (CID 160558318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).