1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile

C113H135Cl2N29O7 — CID 157168406

IUPAC1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCCOc1ccccc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.COc1cccnc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.Clc1cccc(N2CCN(CCCCOc3cccc(-c4ccn[nH]4)n3)CC2)c1Cl.N#Cc1ccccc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.N#Cc1cccnc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1
InChIInChI=1S/C24H31N5O2.C23H26N6O.C22H25Cl2N5O.C22H25N7O.C22H28N6O2/c1-2-30-23-10-4-3-9-22(23)29-17-15-28(16-18-29)14-5-6-19-31-24-11-7-8-20(26-24)21-12-13-25-27-21;24-18-19-6-1-2-8-22(19)29-15-13-28(14-16-29)12-3-4-17-30-23-9-5-7-20(26-23)21-10-11-25-27-21;23-17-5-3-7-20(22(17)24)29-14-12-28(13-15-29)11-1-2-16-30-21-8-4-6-18(26-21)19-9-10-25-27-19;23-17-18-5-4-9-24-22(18)29-14-12-28(13-15-29)11-1-2-16-30-21-7-3-6-19(26-21)20-8-10-25-27-20;1-29-20-7-5-10-23-22(20)28-15-13-27(14-16-28)12-2-3-17-30-21-8-4-6-18(25-21)19-9-11-24-26-19/h3-4,7-13H,2,5-6,14-19H2,1H3,(H,25,27);1-2,5-11H,3-4,12-17H2,(H,25,27);2*3-10H,1-2,11-16H2,(H,25,27);4-11H,2-3,12-17H2,1H3,(H,24,26)
InChIKeyANEJQUJDURMGFE-UHFFFAOYSA-N
MW2082.42 g/mol
LogP17.51
Rot. Bonds43

About 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile

1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 157168406) has the molecular formula C113H135Cl2N29O7 and a molecular weight of 2082.42 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID157168406
Molecular FormulaC113H135Cl2N29O7
Molecular Weight2082.42 g/mol
Exact Mass2080.05
IUPAC Name1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCCOc1ccccc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.COc1cccnc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.Clc1cccc(N2CCN(CCCCOc3cccc(-c4ccn[nH]4)n3)CC2)c1Cl.N#Cc1ccccc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.N#Cc1cccnc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1
InChIInChI=1S/C24H31N5O2.C23H26N6O.C22H25Cl2N5O.C22H25N7O.C22H28N6O2/c1-2-30-23-10-4-3-9-22(23)29-17-15-28(16-18-29)14-5-6-19-31-24-11-7-8-20(26-24)21-12-13-25-27-21;24-18-19-6-1-2-8-22(19)29-15-13-28(14-16-29)12-3-4-17-30-23-9-5-7-20(26-23)21-10-11-25-27-21;23-17-5-3-7-20(22(17)24)29-14-12-28(13-15-29)11-1-2-16-30-21-8-4-6-18(26-21)19-9-10-25-27-19;23-17-18-5-4-9-24-22(18)29-14-12-28(13-15-29)11-1-2-16-30-21-7-3-6-19(26-21)20-8-10-25-27-20;1-29-20-7-5-10-23-22(20)28-15-13-27(14-16-28)12-2-3-17-30-21-8-4-6-18(25-21)19-9-11-24-26-19/h3-4,7-13H,2,5-6,14-19H2,1H3,(H,25,27);1-2,5-11H,3-4,12-17H2,(H,25,27);2*3-10H,1-2,11-16H2,(H,25,27);4-11H,2-3,12-17H2,1H3,(H,24,26)
InChIKeyANEJQUJDURMGFE-UHFFFAOYSA-N
XLogP17.51
TPSA378.22 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds43
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002082.42
LogP ≤ 517.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 157190646
1-(2-chlorophenyl)-4-[4-[[6-(2H-pyrrol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2,3-dichlorophenyl)-4-[4-[[6-(2H-pyrrol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(2H-pyrrol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(2H-pyrrol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(2H-pyrrol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 158609388
N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 159005214
1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 159263620

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 157168406) is 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile is CCOc1ccccc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.COc1cccnc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.Clc1cccc(N2CCN(CCCCOc3cccc(-c4ccn[nH]4)n3)CC2)c1Cl.N#Cc1ccccc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.N#Cc1cccnc1N1CCN(CCCCOc2cccc(-c3ccn[nH]3)n2)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ANEJQUJDURMGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.C23H26N6O.C22H25Cl2N5O.C22H25N7O.C22H28N6O2/c1-2-30-23-10-4-3-9-22(23)29-17-15-28(16-18-29)14-5-6-19-31-24-11-7-8-20(26-24)21-12-13-25-27-21;24-18-19-6-1-2-8-22(19)29-15-13-28(14-16-29)12-3-4-17-30-23-9-5-7-20(26-23)21-10-11-25-27-21;23-17-5-3-7-20(22(17)24)29-14-12-28(13-15-29)11-1-2-16-30-21-8-4-6-18(26-21)19-9-10-25-27-19;23-17-18-5-4-9-24-22(18)29-14-12-28(13-15-29)11-1-2-16-30-21-7-3-6-19(26-21)20-8-10-25-27-20;1-29-20-7-5-10-23-22(20)28-15-13-27(14-16-28)12-2-3-17-30-21-8-4-6-18(25-21)19-9-11-24-26-19/h3-4,7-13H,2,5-6,14-19H2,1H3,(H,25,27);1-2,5-11H,3-4,12-17H2,(H,25,27);2*3-10H,1-2,11-16H2,(H,25,27);4-11H,2-3,12-17H2,1H3,(H,24,26).
What are the key properties of 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile?
1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 2082.42 g/mol, XLogP of 17.51, 43 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(2-ethoxyphenyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;1-(3-methoxy-2-pyridinyl)-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]benzonitrile;2-[4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 157168406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).