dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate

C61H62Cl4I2K2N16O7 — CID 158785413

About dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate

dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate (PubChem CID 158785413) has the molecular formula C61H62Cl4I2K2N16O7 and a molecular weight of 1605.09 g/mol. Its IUPAC name is dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate
• PubChem CID: 158785413
• Molecular Formula: C61H62Cl4I2K2N16O7
• Molecular Weight: 1605.09 g/mol
• Exact Mass: 1602.11
• IUPAC Name: dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate
• SMILES: Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)ccc1Cl.Ic1[nH]nc2ncccc12.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C22H21ClN6O2.C19H19ClIN5O.C13H16Cl2N2O.C6H4IN3.CH2O3.2K.H/c1-15-13-16(4-5-18(15)23)27-8-10-28(11-9-27)19(30)14-29-21-17(3-2-6-24-21)20(26-29)22-25-7-12-31-22;1-13-11-14(4-5-16(13)20)24-7-9-25(10-8-24)17(27)12-26-19-15(18(21)23-26)3-2-6-22-19;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-5-4-2-1-3-8-6(4)10-9-5;2-1-4-3;;;/h2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,12H2,1H3;2-3,8H,4-7,9H2,1H3;1-3H,(H,8,9,10);1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: DBIQQMARHSTQAP-UHFFFAOYSA-M
• XLogP: 3.40
• TPSA: 249.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1605.09
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate?

The IUPAC name of dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate (CID 158785413) is dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate.

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

The canonical SMILES for dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate is Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)ccc1Cl.Ic1[nH]nc2ncccc12.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate?

The InChIKey is DBIQQMARHSTQAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21ClN6O2.C19H19ClIN5O.C13H16Cl2N2O.C6H4IN3.CH2O3.2K.H/c1-15-13-16(4-5-18(15)23)27-8-10-28(11-9-27)19(30)14-29-21-17(3-2-6-24-21)20(26-29)22-25-7-12-31-22;1-13-11-14(4-5-16(13)20)24-7-9-25(10-8-24)17(27)12-26-19-15(18(21)23-26)3-2-6-22-19;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-5-4-2-1-3-8-6(4)10-9-5;2-1-4-3;;;/h2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,12H2,1H3;2-3,8H,4-7,9H2,1H3;1-3H,(H,8,9,10);1,3H;;;/q;;;;;2*+1;-1/p-1.

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

dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate has a molecular weight of 1605.09 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;hydride;3-iodo-2H-pyrazolo[3,4-b]pyridine;oxido formate is sourced from PubChem (CID 158785413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).