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

C58H63Cl4K2N15O6 — CID 159371048

IUPACdipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine
SMILESCc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4ccncc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)CC2)ccc1Cl.O=CO[O-].[H-].[K+].[K+].c1cc2cn[nH]c2cn1
InChIInChI=1S/2C19H20ClN5O.C13H16Cl2N2O.C6H5N3.CH2O3.2K.H/c1-14-10-16(2-3-17(14)20)23-6-8-24(9-7-23)19(26)13-25-12-15-4-5-21-11-18(15)22-25;1-14-10-16(2-3-17(14)20)23-6-8-24(9-7-23)19(26)13-25-18-12-21-5-4-15(18)11-22-25;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;1-2-7-4-6-5(1)3-8-9-6;2-1-4-3;;;/h2*2-5,10-12H,6-9,13H2,1H3;2-3,8H,4-7,9H2,1H3;1-4H,(H,8,9);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyCRQQNDZVGYKXFX-UHFFFAOYSA-M
MW1286.25 g/mol
LogP1.53
Rot. Bonds9

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

dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine (PubChem CID 159371048) has the molecular formula C58H63Cl4K2N15O6 and a molecular weight of 1286.25 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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Namedipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine
PubChem CID159371048
Molecular FormulaC58H63Cl4K2N15O6
Molecular Weight1286.25 g/mol
Exact Mass1283.31
IUPAC Namedipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine
SMILESCc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4ccncc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)CC2)ccc1Cl.O=CO[O-].[H-].[K+].[K+].c1cc2cn[nH]c2cn1
InChIInChI=1S/2C19H20ClN5O.C13H16Cl2N2O.C6H5N3.CH2O3.2K.H/c1-14-10-16(2-3-17(14)20)23-6-8-24(9-7-23)19(26)13-25-12-15-4-5-21-11-18(15)22-25;1-14-10-16(2-3-17(14)20)23-6-8-24(9-7-23)19(26)13-25-18-12-21-5-4-15(18)11-22-25;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;1-2-7-4-6-5(1)3-8-9-6;2-1-4-3;;;/h2*2-5,10-12H,6-9,13H2,1H3;2-3,8H,4-7,9H2,1H3;1-4H,(H,8,9);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyCRQQNDZVGYKXFX-UHFFFAOYSA-M
XLogP1.53
TPSA223.00 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms85
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

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'}

Analyze dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine with MolForge

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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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine?
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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine (CID 159371048) is dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine.
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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine?
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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine is Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4ccncc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)CC2)ccc1Cl.O=CO[O-].[H-].[K+].[K+].c1cc2cn[nH]c2cn1.
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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine?
The InChIKey is CRQQNDZVGYKXFX-UHFFFAOYSA-M. The full InChI is InChI=1S/2C19H20ClN5O.C13H16Cl2N2O.C6H5N3.CH2O3.2K.H/c1-14-10-16(2-3-17(14)20)23-6-8-24(9-7-23)19(26)13-25-12-15-4-5-21-11-18(15)22-25;1-14-10-16(2-3-17(14)20)23-6-8-24(9-7-23)19(26)13-25-18-12-21-5-4-15(18)11-22-25;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;1-2-7-4-6-5(1)3-8-9-6;2-1-4-3;;;/h2*2-5,10-12H,6-9,13H2,1H3;2-3,8H,4-7,9H2,1H3;1-4H,(H,8,9);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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine?
dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine has a molecular weight of 1286.25 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 17 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-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 159371048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).