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

C61H66Cl4F3K2N15O6 — CID 158388419

IUPACdipotassium;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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine
SMILESCc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4cnccc4n3)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4cnccc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1cc2[nH]ncc2cn1
InChIInChI=1S/2C20H21ClFN5O.C14H17Cl2FN2O.C6H5N3.CH2O3.2K.H/c1-13-7-19(17(22)8-16(13)21)25-5-6-26(14(2)11-25)20(28)12-27-18-3-4-23-9-15(18)10-24-27;1-13-7-19(17(22)8-16(13)21)25-5-6-27(14(2)10-25)20(28)12-26-11-15-9-23-4-3-18(15)24-26;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-7-3-5-4-8-9-6(1)5;2-1-4-3;;;/h3-4,7-10,14H,5-6,11-12H2,1-2H3;3-4,7-9,11,14H,5-6,10,12H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;1-4H,(H,8,9);1,3H;;;/q;;;;;2*+1;-1/p-1/t2*14-;10-;;;;;/m000...../s1
InChIKeyFBLFHQZGHXYTDR-JGCJUEBMSA-M
MW1382.30 g/mol
LogP3.12
Rot. Bonds9

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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine (PubChem CID 158388419) has the molecular formula C61H66Cl4F3K2N15O6 and a molecular weight of 1382.30 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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Namedipotassium;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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine
PubChem CID158388419
Molecular FormulaC61H66Cl4F3K2N15O6
Molecular Weight1382.30 g/mol
Exact Mass1379.33
IUPAC Namedipotassium;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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine
SMILESCc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4cnccc4n3)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4cnccc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1cc2[nH]ncc2cn1
InChIInChI=1S/2C20H21ClFN5O.C14H17Cl2FN2O.C6H5N3.CH2O3.2K.H/c1-13-7-19(17(22)8-16(13)21)25-5-6-26(14(2)11-25)20(28)12-27-18-3-4-23-9-15(18)10-24-27;1-13-7-19(17(22)8-16(13)21)25-5-6-27(14(2)10-25)20(28)12-26-11-15-9-23-4-3-18(15)24-26;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-7-3-5-4-8-9-6(1)5;2-1-4-3;;;/h3-4,7-10,14H,5-6,11-12H2,1-2H3;3-4,7-9,11,14H,5-6,10,12H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;1-4H,(H,8,9);1,3H;;;/q;;;;;2*+1;-1/p-1/t2*14-;10-;;;;;/m000...../s1
InChIKeyFBLFHQZGHXYTDR-JGCJUEBMSA-M
XLogP3.12
TPSA223.00 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001382.30
LogP ≤ 53.12
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-[(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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
CID 159873571
1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
CID 160647164
dipotassium;2-chloro-1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-b]pyridine
CID 157085015
dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-b]pyridine
CID 157396421
acetic acid;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(6-hydroxypyrazolo[5,4-c]pyridin-6-ium-1-yl)ethanone;hydrogen peroxide;6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium;1H-pyrazolo[5,4-c]pyridine
CID 157432774
dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;deuterio(fluoro)methane;hydride;3-methyl-2H-pyrazolo[3,4-b]pyridine;oxido formate
CID 157923061
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-pyrazolo[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine
CID 158084332
2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine
CID 158244720
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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;deuterio(fluoro)methane;hydride;3-methyl-2H-pyrazolo[3,4-b]pyridine;oxido formate
CID 158484628
dipotassium;2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;deuterio(fluoro)methane;hydride;oxido formate;2H-pyrazolo[3,4-b]pyridin-3-amine
CID 158663561
acetic acid;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(6-hydroxypyrazolo[5,4-c]pyridin-6-ium-1-yl)ethanone;hydrogen peroxide;6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium;1H-pyrazolo[5,4-c]pyridine
CID 159284584
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

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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine (CID 158388419) 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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine is Cc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4cnccc4n3)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4cnccc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1cc2[nH]ncc2cn1.
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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine?
The InChIKey is FBLFHQZGHXYTDR-JGCJUEBMSA-M. The full InChI is InChI=1S/2C20H21ClFN5O.C14H17Cl2FN2O.C6H5N3.CH2O3.2K.H/c1-13-7-19(17(22)8-16(13)21)25-5-6-26(14(2)11-25)20(28)12-27-18-3-4-23-9-15(18)10-24-27;1-13-7-19(17(22)8-16(13)21)25-5-6-27(14(2)10-25)20(28)12-26-11-15-9-23-4-3-18(15)24-26;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-7-3-5-4-8-9-6(1)5;2-1-4-3;;;/h3-4,7-10,14H,5-6,11-12H2,1-2H3;3-4,7-9,11,14H,5-6,10,12H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;1-4H,(H,8,9);1,3H;;;/q;;;;;2*+1;-1/p-1/t2*14-;10-;;;;;/m000...../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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine has a molecular weight of 1382.30 g/mol, XLogP of 3.12, 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-[(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-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 158388419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).