dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine

C51H51Cl3F2K2N12O5 — CID 159621989

About dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine

dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 159621989) has the molecular formula C51H51Cl3F2K2N12O5 and a molecular weight of 1134.60 g/mol. Its IUPAC name is dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 159621989
• Molecular Formula: C51H51Cl3F2K2N12O5
• Molecular Weight: 1134.60 g/mol
• Exact Mass: 1132.24
• IUPAC Name: dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: Cc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1ccc(-c2[nH]nc3ncccc23)nc1
• InChI: InChI=1S/C25H24ClFN6O.C14H17Cl2FN2O.C11H8N4.CH2O3.2K.H/c1-16-12-22(20(27)13-19(16)26)31-10-11-32(17(2)14-31)23(34)15-33-25-18(6-5-9-29-25)24(30-33)21-7-3-4-8-28-21;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-6-12-9(5-1)10-8-4-3-7-13-11(8)15-14-10;2-1-4-3;;;/h3-9,12-13,17H,10-11,14-15H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;1-7H,(H,13,14,15);1,3H;;;/q;;;;2*+1;-1/p-1/t17-;10-;;;;;/m00...../s1
• InChIKey: PAIDXIBWIUZPNJ-ARECTNDUSA-M
• XLogP: 1.97
• TPSA: 194.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1134.60
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine (CID 159621989) is dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine is Cc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1ccc(-c2[nH]nc3ncccc23)nc1.

What is the InChIKey of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is PAIDXIBWIUZPNJ-ARECTNDUSA-M. The full InChI is InChI=1S/C25H24ClFN6O.C14H17Cl2FN2O.C11H8N4.CH2O3.2K.H/c1-16-12-22(20(27)13-19(16)26)31-10-11-32(17(2)14-31)23(34)15-33-25-18(6-5-9-29-25)24(30-33)21-7-3-4-8-28-21;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-6-12-9(5-1)10-8-4-3-7-13-11(8)15-14-10;2-1-4-3;;;/h3-9,12-13,17H,10-11,14-15H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;1-7H,(H,13,14,15);1,3H;;;/q;;;;2*+1;-1/p-1/t17-;10-;;;;;/m00...../s1.

What are the key properties of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine?

dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1134.60 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;hydride;oxido formate;3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 159621989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).