potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine

C83H85ClKN16NaO15 — CID 157055180

About potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine

potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157055180) has the molecular formula C83H85ClKN16NaO15 and a molecular weight of 1644.23 g/mol. Its IUPAC name is potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157055180
• Molecular Formula: C83H85ClKN16NaO15
• Molecular Weight: 1644.23 g/mol
• Exact Mass: 1642.56
• IUPAC Name: potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine
• SMILES: C[C@@H]1CN(C(=O)c2ccccc2)CCN1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ncccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2n(O)cccc1-2.C[C@@H]1CNCCN1.O=C(Cl)c1ccccc1.O=C([O-])C(=O)c1c[nH]c2ncccc12.O=CO[O-].[K+].[Na+].c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C21H20N4O4.C21H20N4O3.C12H16N2O.C9H6N2O3.C7H5ClO.C7H6N2.C5H12N2.CH2O3.K.Na/c1-14-13-23(20(27)15-6-3-2-4-7-15)10-11-24(14)21(28)18(26)17-12-22-19-16(17)8-5-9-25(19)29;1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19;1-10-9-14(8-7-13-10)12(15)11-5-3-2-4-6-11;12-7(9(13)14)6-4-11-8-5(6)2-1-3-10-8;8-7(9)6-4-2-1-3-5-6;1-2-6-3-5-9-7(6)8-4-1;1-5-4-6-2-3-7-5;2-1-4-3;;/h2-9,12,14,29H,10-11,13H2,1H3;2-9,12,14H,10-11,13H2,1H3,(H,22,23);2-6,10,13H,7-9H2,1H3;1-4H,(H,10,11)(H,13,14);1-5H;1-5H,(H,8,9);5-7H,2-4H2,1H3;1,3H;;/q;;;;;;;;2*+1/p-2/t2*14-;10-;;;;5-;;;/m111...1.../s1
• InChIKey: OAWZDUVIDSHNLD-BGZMOEMXSA-L
• XLogP: 0.15
• TPSA: 419.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.23
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine (CID 157055180) is potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine is C[C@@H]1CN(C(=O)c2ccccc2)CCN1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ncccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2n(O)cccc1-2.C[C@@H]1CNCCN1.O=C(Cl)c1ccccc1.O=C([O-])C(=O)c1c[nH]c2ncccc12.O=CO[O-].[K+].[Na+].c1cnc2[nH]ccc2c1.

What is the InChIKey of potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is OAWZDUVIDSHNLD-BGZMOEMXSA-L. The full InChI is InChI=1S/C21H20N4O4.C21H20N4O3.C12H16N2O.C9H6N2O3.C7H5ClO.C7H6N2.C5H12N2.CH2O3.K.Na/c1-14-13-23(20(27)15-6-3-2-4-7-15)10-11-24(14)21(28)18(26)17-12-22-19-16(17)8-5-9-25(19)29;1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19;1-10-9-14(8-7-13-10)12(15)11-5-3-2-4-6-11;12-7(9(13)14)6-4-11-8-5(6)2-1-3-10-8;8-7(9)6-4-2-1-3-5-6;1-2-6-3-5-9-7(6)8-4-1;1-5-4-6-2-3-7-5;2-1-4-3;;/h2-9,12,14,29H,10-11,13H2,1H3;2-9,12,14H,10-11,13H2,1H3,(H,22,23);2-6,10,13H,7-9H2,1H3;1-4H,(H,10,11)(H,13,14);1-5H;1-5H,(H,8,9);5-7H,2-4H2,1H3;1,3H;;/q;;;;;;;;2*+1/p-2/t2*14-;10-;;;;5-;;;/m111...1.../s1.

What are the key properties of potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine?

potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1644.23 g/mol, XLogP of 0.15, 11 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;benzoyl chloride;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2R)-2-methylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;oxido formate;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157055180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).