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

C63H74Cl4F3K2N15O9 — CID 157103630

IUPACdipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine
SMILESC.C.COc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3cc4cccnc4n3)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1cnc2[nH]ncc2c1
InChIInChI=1S/2C20H21ClFN5O2.C14H17Cl2FN2O2.C6H5N3.CH2O3.2CH4.2K.H/c1-13-11-25(17-9-18(29-2)15(21)8-16(17)22)6-7-26(13)19(28)12-27-20-14(10-24-27)4-3-5-23-20;1-13-10-25(17-9-18(29-2)15(21)8-16(17)22)6-7-27(13)19(28)12-26-11-14-4-3-5-23-20(14)24-26;1-9-8-18(3-4-19(9)14(20)7-15)12-6-13(21-2)10(16)5-11(12)17;1-2-5-4-8-9-6(5)7-3-1;2-1-4-3;;;;;/h3-5,8-10,13H,6-7,11-12H2,1-2H3;3-5,8-9,11,13H,6-7,10,12H2,1-2H3;5-6,9H,3-4,7-8H2,1-2H3;1-4H,(H,7,8,9);1,3H;2*1H4;;;/q;;;;;;;2*+1;-1/p-1/t2*13-;9-;;;;;;;/m000......./s1
InChIKeyCRMYVSHLRNQJIK-HXWIEEEESA-M
MW1462.38 g/mol
LogP3.49
Rot. Bonds12

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

dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine (PubChem CID 157103630) has the molecular formula C63H74Cl4F3K2N15O9 and a molecular weight of 1462.38 g/mol. Its IUPAC name is dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Namedipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine
PubChem CID157103630
Molecular FormulaC63H74Cl4F3K2N15O9
Molecular Weight1462.38 g/mol
Exact Mass1459.38
IUPAC Namedipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine
SMILESC.C.COc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3cc4cccnc4n3)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1cnc2[nH]ncc2c1
InChIInChI=1S/2C20H21ClFN5O2.C14H17Cl2FN2O2.C6H5N3.CH2O3.2CH4.2K.H/c1-13-11-25(17-9-18(29-2)15(21)8-16(17)22)6-7-26(13)19(28)12-27-20-14(10-24-27)4-3-5-23-20;1-13-10-25(17-9-18(29-2)15(21)8-16(17)22)6-7-27(13)19(28)12-26-11-14-4-3-5-23-20(14)24-26;1-9-8-18(3-4-19(9)14(20)7-15)12-6-13(21-2)10(16)5-11(12)17;1-2-5-4-8-9-6(5)7-3-1;2-1-4-3;;;;;/h3-5,8-10,13H,6-7,11-12H2,1-2H3;3-5,8-9,11,13H,6-7,10,12H2,1-2H3;5-6,9H,3-4,7-8H2,1-2H3;1-4H,(H,7,8,9);1,3H;2*1H4;;;/q;;;;;;;2*+1;-1/p-1/t2*13-;9-;;;;;;;/m000......./s1
InChIKeyCRMYVSHLRNQJIK-HXWIEEEESA-M
XLogP3.49
TPSA250.69 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001462.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

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-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 157645784
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[(2S)-4-(4-chloro-3-ethoxyphenyl)-2-methylpiperazin-1-yl]ethanone;2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanone
CID 157660887
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanone;1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;methane;tetrahydrochloride
CID 158238446
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanone;1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine
CID 158817017
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 159334057
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[(2S)-4-(4-chloro-3-ethoxyphenyl)-2-methylpiperazin-1-yl]ethanone;2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)-2,2-dimethylpiperazin-1-yl]ethanone;2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[(2S)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]ethanone;2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanone
CID 173513574
2,4-bis[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-1,5-bis[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]pentan-3-one
CID 175285057
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(triazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-1-ium-1-yl]ethanone
CID 59314449
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 136354124
2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-pyrimidin-4-ylpyrazol-1-yl)ethanone;4-(4-chloro-5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 157055078
2-chloro-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)ethanone;2-(4-chloro-5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 157078044
2-chloroacetaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine
CID 157081979

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine (CID 157103630) is dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine is C.C.COc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3cc4cccnc4n3)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].c1cnc2[nH]ncc2c1.
What is the InChIKey of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine?
The InChIKey is CRMYVSHLRNQJIK-HXWIEEEESA-M. The full InChI is InChI=1S/2C20H21ClFN5O2.C14H17Cl2FN2O2.C6H5N3.CH2O3.2CH4.2K.H/c1-13-11-25(17-9-18(29-2)15(21)8-16(17)22)6-7-26(13)19(28)12-27-20-14(10-24-27)4-3-5-23-20;1-13-10-25(17-9-18(29-2)15(21)8-16(17)22)6-7-27(13)19(28)12-26-11-14-4-3-5-23-20(14)24-26;1-9-8-18(3-4-19(9)14(20)7-15)12-6-13(21-2)10(16)5-11(12)17;1-2-5-4-8-9-6(5)7-3-1;2-1-4-3;;;;;/h3-5,8-10,13H,6-7,11-12H2,1-2H3;3-5,8-9,11,13H,6-7,10,12H2,1-2H3;5-6,9H,3-4,7-8H2,1-2H3;1-4H,(H,7,8,9);1,3H;2*1H4;;;/q;;;;;;;2*+1;-1/p-1/t2*13-;9-;;;;;;;/m000......./s1.
What are the key properties of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine?
dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine has a molecular weight of 1462.38 g/mol, XLogP of 3.49, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;hydride;methane;oxido formate;1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 157103630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).