potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide

C37H41KN8O8 — CID 158621768

About potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide

potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide (PubChem CID 158621768) has the molecular formula C37H41KN8O8 and a molecular weight of 764.88 g/mol. Its IUPAC name is potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide.

Molecular Properties

• Compound Name: potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide
• PubChem CID: 158621768
• Molecular Formula: C37H41KN8O8
• Molecular Weight: 764.88 g/mol
• Exact Mass: 764.27
• IUPAC Name: potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide
• SMILES: COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12.COc1ccnc2[nH]cc(C(=O)C(=O)N3CCNC[C@H]3C)c12.[K+].[OH-]
• InChI: InChI=1S/C22H22N4O4.C15H18N4O3.K.H2O/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20;1-9-7-16-5-6-19(9)15(21)13(20)10-8-18-14-12(10)11(22-2)3-4-17-14;;/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24);3-4,8-9,16H,5-7H2,1-2H3,(H,17,18);;1H2/q;;+1;/p-1/t14-;9-;;/m11../s1
• InChIKey: HYBYJECCHPANGK-PLYFLORXSA-M
• XLogP: -0.47
• TPSA: 212.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.88
LogP ≤ 5	-0.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide?

The IUPAC name of potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide (CID 158621768) is potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide.

What is the SMILES notation for potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide?

The canonical SMILES for potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide is COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12.COc1ccnc2[nH]cc(C(=O)C(=O)N3CCNC[C@H]3C)c12.[K+].[OH-].

What is the InChIKey of potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide?

The InChIKey is HYBYJECCHPANGK-PLYFLORXSA-M. The full InChI is InChI=1S/C22H22N4O4.C15H18N4O3.K.H2O/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20;1-9-7-16-5-6-19(9)15(21)13(20)10-8-18-14-12(10)11(22-2)3-4-17-14;;/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24);3-4,8-9,16H,5-7H2,1-2H3,(H,17,18);;1H2/q;;+1;/p-1/t14-;9-;;/m11../s1.

What are the key properties of potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide?

potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide has a molecular weight of 764.88 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methylpiperazin-1-yl]ethane-1,2-dione;hydroxide is sourced from PubChem (CID 158621768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).