1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride

C81H82Cl2N16O9 — CID 157075070

About 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride

1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride (PubChem CID 157075070) has the molecular formula C81H82Cl2N16O9 and a molecular weight of 1494.56 g/mol. Its IUPAC name is 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride.

Molecular Properties

• Compound Name: 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride
• PubChem CID: 157075070
• Molecular Formula: C81H82Cl2N16O9
• Molecular Weight: 1494.56 g/mol
• Exact Mass: 1492.58
• IUPAC Name: 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride
• SMILES: C.CCC1CN(C(=O)C(=O)c2c[nH]c3ncccc23)CCN1C(=O)c1ccccc1.CCC1CN(C(=O)c2c[nH]c3ncccc23)CCN1C(=O)c1ccccc1.CCC1CNCCN1C(=O)c1ccccc1.O=C(Cl)C(=O)c1c[nH]c2ncccc12.O=C(Cl)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C22H22N4O3.C21H22N4O2.C13H18N2O.C9H5ClN2O2.C8H5ClN2O.C7H6N2.CH4/c1-2-16-14-25(11-12-26(16)21(28)15-7-4-3-5-8-15)22(29)19(27)18-13-24-20-17(18)9-6-10-23-20;1-2-16-14-24(11-12-25(16)20(26)15-7-4-3-5-8-15)21(27)18-13-23-19-17(18)9-6-10-22-19;1-2-12-10-14-8-9-15(12)13(16)11-6-4-3-5-7-11;10-8(14)7(13)6-4-12-9-5(6)2-1-3-11-9;9-7(12)6-4-11-8-5(6)2-1-3-10-8;1-2-6-3-5-9-7(6)8-4-1;/h3-10,13,16H,2,11-12,14H2,1H3,(H,23,24);3-10,13,16H,2,11-12,14H2,1H3,(H,22,23);3-7,12,14H,2,8-10H2,1H3;1-4H,(H,11,12);1-4H,(H,10,11);1-5H,(H,8,9);1H4
• InChIKey: ACWLUOCCOPZERF-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 325.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1494.56
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride?

The IUPAC name of 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride (CID 157075070) is 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride.

What is the SMILES notation for 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride?

The canonical SMILES for 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride is C.CCC1CN(C(=O)C(=O)c2c[nH]c3ncccc23)CCN1C(=O)c1ccccc1.CCC1CN(C(=O)c2c[nH]c3ncccc23)CCN1C(=O)c1ccccc1.CCC1CNCCN1C(=O)c1ccccc1.O=C(Cl)C(=O)c1c[nH]c2ncccc12.O=C(Cl)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride?

The InChIKey is ACWLUOCCOPZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3.C21H22N4O2.C13H18N2O.C9H5ClN2O2.C8H5ClN2O.C7H6N2.CH4/c1-2-16-14-25(11-12-26(16)21(28)15-7-4-3-5-8-15)22(29)19(27)18-13-24-20-17(18)9-6-10-23-20;1-2-16-14-24(11-12-25(16)20(26)15-7-4-3-5-8-15)21(27)18-13-23-19-17(18)9-6-10-22-19;1-2-12-10-14-8-9-15(12)13(16)11-6-4-3-5-7-11;10-8(14)7(13)6-4-12-9-5(6)2-1-3-11-9;9-7(12)6-4-11-8-5(6)2-1-3-10-8;1-2-6-3-5-9-7(6)8-4-1;/h3-10,13,16H,2,11-12,14H2,1H3,(H,23,24);3-10,13,16H,2,11-12,14H2,1H3,(H,22,23);3-7,12,14H,2,8-10H2,1H3;1-4H,(H,11,12);1-4H,(H,10,11);1-5H,(H,8,9);1H4.

What are the key properties of 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride?

1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride has a molecular weight of 1494.56 g/mol, XLogP of 12.61, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;(2-ethylpiperazin-1-yl)-phenylmethanone;[2-ethyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone;methane;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl chloride;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride is sourced from PubChem (CID 157075070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).