dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane

C62H69Cl9FK2N22O7+ — CID 157072395

IUPACdipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane
SMILESC.Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4c(Cl)ncnc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4c(Cl)ncnc43)CC2)ccc1Cl.Clc1ncnc2[nH]ncc12.NN.O=Cc1c(Cl)ncnc1Cl.[2H]OOC=O.[CH2-]F.[K+].[K+]
InChIInChI=1S/2C18H18Cl2N6O.C13H16Cl2N2O.C5H2Cl2N2O.C5H3ClN4.CH2F.CH2O3.CH4.2K.H4N2/c1-12-8-13(2-3-15(12)19)24-4-6-25(7-5-24)16(27)10-26-9-14-17(20)21-11-22-18(14)23-26;1-12-8-13(2-3-15(12)19)24-4-6-25(7-5-24)16(27)10-26-18-14(9-23-26)17(20)21-11-22-18;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;6-4-3(1-10)5(7)9-2-8-4;6-4-3-1-9-10-5(3)8-2-7-4;1-2;2-1-4-3;;;;1-2/h2*2-3,8-9,11H,4-7,10H2,1H3;2-3,8H,4-7,9H2,1H3;1-2H;1-2H,(H,7,8,9,10);1H2;1,3H;1H4;;;1-2H2/q;;;;;-1;;;2*+1;/i/hD
InChIKeyGJEGOTJLRSXNCW-DYCDLGHISA-N
MW1651.66 g/mol
LogP4.56
Rot. Bonds11

About dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane

dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane (PubChem CID 157072395) has the molecular formula C62H69Cl9FK2N22O7+ and a molecular weight of 1651.66 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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane.

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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane
PubChem CID157072395
Molecular FormulaC62H69Cl9FK2N22O7+
Molecular Weight1651.66 g/mol
Exact Mass1646.22
IUPAC Namedipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane
SMILESC.Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4c(Cl)ncnc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4c(Cl)ncnc43)CC2)ccc1Cl.Clc1ncnc2[nH]ncc12.NN.O=Cc1c(Cl)ncnc1Cl.[2H]OOC=O.[CH2-]F.[K+].[K+]
InChIInChI=1S/2C18H18Cl2N6O.C13H16Cl2N2O.C5H2Cl2N2O.C5H3ClN4.CH2F.CH2O3.CH4.2K.H4N2/c1-12-8-13(2-3-15(12)19)24-4-6-25(7-5-24)16(27)10-26-9-14-17(20)21-11-22-18(14)23-26;1-12-8-13(2-3-15(12)19)24-4-6-25(7-5-24)16(27)10-26-18-14(9-23-26)17(20)21-11-22-18;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;6-4-3(1-10)5(7)9-2-8-4;6-4-3-1-9-10-5(3)8-2-7-4;1-2;2-1-4-3;;;;1-2/h2*2-3,8-9,11H,4-7,10H2,1H3;2-3,8H,4-7,9H2,1H3;1-2H;1-2H,(H,7,8,9,10);1H2;1,3H;1H4;;;1-2H2/q;;;;;-1;;;2*+1;/i/hD
InChIKeyGJEGOTJLRSXNCW-DYCDLGHISA-N
XLogP4.56
TPSA353.73 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001651.66
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane 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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane?
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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane (CID 157072395) is dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane.
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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane?
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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane is C.Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4c(Cl)ncnc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4c(Cl)ncnc43)CC2)ccc1Cl.Clc1ncnc2[nH]ncc12.NN.O=Cc1c(Cl)ncnc1Cl.[2H]OOC=O.[CH2-]F.[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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane?
The InChIKey is GJEGOTJLRSXNCW-DYCDLGHISA-N. The full InChI is InChI=1S/2C18H18Cl2N6O.C13H16Cl2N2O.C5H2Cl2N2O.C5H3ClN4.CH2F.CH2O3.CH4.2K.H4N2/c1-12-8-13(2-3-15(12)19)24-4-6-25(7-5-24)16(27)10-26-9-14-17(20)21-11-22-18(14)23-26;1-12-8-13(2-3-15(12)19)24-4-6-25(7-5-24)16(27)10-26-18-14(9-23-26)17(20)21-11-22-18;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;6-4-3(1-10)5(7)9-2-8-4;6-4-3-1-9-10-5(3)8-2-7-4;1-2;2-1-4-3;;;;1-2/h2*2-3,8-9,11H,4-7,10H2,1H3;2-3,8H,4-7,9H2,1H3;1-2H;1-2H,(H,7,8,9,10);1H2;1,3H;1H4;;;1-2H2/q;;;;;-1;;;2*+1;/i/hD.
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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane?
dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane has a molecular weight of 1651.66 g/mol, XLogP of 4.56, 11 rotatable bonds, 4 hydrogen bond donors, and 25 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-(4-chloropyrazolo[3,4-d]pyrimidin-2-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;deuteriooxy formate;4,6-dichloropyrimidine-5-carbaldehyde;fluoromethane;hydrazine;methane is sourced from PubChem (CID 157072395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).