2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

C98H98Br2N20O19Si2 — CID 159310476

About 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 159310476) has the molecular formula C98H98Br2N20O19Si2 and a molecular weight of 2075.96 g/mol. Its IUPAC name is 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

• Compound Name: 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
• PubChem CID: 159310476
• Molecular Formula: C98H98Br2N20O19Si2
• Molecular Weight: 2075.96 g/mol
• Exact Mass: 2072.52
• IUPAC Name: 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
• SMILES: COC(=O)c1ccc[n+]([O-])c1C(=O)OC.C[Si](C)(C)CCOCN1C(=O)C2(Cc3ccc(C#N)nc3C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)Cc2cccnc21.Nc1ccc2c(n1)CC1(C2)C(=O)Nc2ncccc21.O=C(O)c1ccc2c(n1)CC1(C2)C(=O)Nc2ncccc21.[C-]#[N+]c1ccc(C(=O)OC)c(C(=O)OC)n1.[C-]#[N+]c1ccc(CBr)c(CBr)n1.[C-]#[N+]c1ccc(CO)c(CO)n1
• InChI: InChI=1S/C21H24N4O2Si.C15H11N3O3.C14H12N4O.C13H20N2O2Si.C10H8N2O4.C9H9NO5.C8H6Br2N2.C8H8N2O2/c1-28(2,3)10-9-27-14-25-19-17(5-4-8-23-19)21(20(25)26)11-15-6-7-16(13-22)24-18(15)12-21;19-13(20)10-4-3-8-6-15(7-11(8)17-10)9-2-1-5-16-12(9)18-14(15)21;15-11-4-3-8-6-14(7-10(8)17-11)9-2-1-5-16-12(9)18-13(14)19;1-18(2,3)8-7-17-10-15-12(16)9-11-5-4-6-14-13(11)15;1-11-7-5-4-6(9(13)15-2)8(12-7)10(14)16-3;1-14-8(11)6-4-3-5-10(13)7(6)9(12)15-2;1-11-8-3-2-6(4-9)7(5-10)12-8;1-9-8-3-2-6(4-11)7(5-12)10-8/h4-8H,9-12,14H2,1-3H3;1-5H,6-7H2,(H,19,20)(H,16,18,21);1-5H,6-7H2,(H2,15,17)(H,16,18,19);4-6H,7-10H2,1-3H3;4-5H,2-3H3;3-5H,1-2H3;2-3H,4-5H2;2-3,11-12H,4-5H2
• InChIKey: LCLXPUZBSCQFBW-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 518.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.96
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

The IUPAC name of 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (CID 159310476) is 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.

What is the SMILES notation for 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

The canonical SMILES for 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is COC(=O)c1ccc[n+]([O-])c1C(=O)OC.C[Si](C)(C)CCOCN1C(=O)C2(Cc3ccc(C#N)nc3C2)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)Cc2cccnc21.Nc1ccc2c(n1)CC1(C2)C(=O)Nc2ncccc21.O=C(O)c1ccc2c(n1)CC1(C2)C(=O)Nc2ncccc21.[C-]#[N+]c1ccc(C(=O)OC)c(C(=O)OC)n1.[C-]#[N+]c1ccc(CBr)c(CBr)n1.[C-]#[N+]c1ccc(CO)c(CO)n1.

What is the InChIKey of 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

The InChIKey is LCLXPUZBSCQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2Si.C15H11N3O3.C14H12N4O.C13H20N2O2Si.C10H8N2O4.C9H9NO5.C8H6Br2N2.C8H8N2O2/c1-28(2,3)10-9-27-14-25-19-17(5-4-8-23-19)21(20(25)26)11-15-6-7-16(13-22)24-18(15)12-21;19-13(20)10-4-3-8-6-15(7-11(8)17-10)9-2-1-5-16-12(9)18-14(15)21;15-11-4-3-8-6-14(7-10(8)17-11)9-2-1-5-16-12(9)18-13(14)19;1-18(2,3)8-7-17-10-15-12(16)9-11-5-4-6-14-13(11)15;1-11-7-5-4-6(9(13)15-2)8(12-7)10(14)16-3;1-14-8(11)6-4-3-5-10(13)7(6)9(12)15-2;1-11-8-3-2-6(4-9)7(5-10)12-8;1-9-8-3-2-6(4-11)7(5-12)10-8/h4-8H,9-12,14H2,1-3H3;1-5H,6-7H2,(H,19,20)(H,16,18,21);1-5H,6-7H2,(H2,15,17)(H,16,18,19);4-6H,7-10H2,1-3H3;4-5H,2-3H3;3-5H,1-2H3;2-3H,4-5H2;2-3,11-12H,4-5H2.

What are the key properties of 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 2075.96 g/mol, XLogP of 12.68, 19 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;2,3-bis(bromomethyl)-6-isocyanopyridine;dimethyl 6-isocyanopyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;[2-(hydroxymethyl)-6-isocyano-3-pyridinyl]methanol;2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2'-carboxylic acid;2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2-carbonitrile;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 159310476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).