1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine

C123H125Cl2FN26O4 — CID 159706491

IUPAC1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine
SMILESCOc1cc(-c2ncccc2N2CCN(c3ccncc3)CC2)ccn1.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1OC.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cn1.Cc1cc(Cl)ccc1-c1ncccc1N1CCN(c2ccncc2)CC1.Clc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.Fc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C22H24N4O2.C21H21ClN4.C20H19ClN4.C20H19FN4.2C20H21N5O/c1-27-20-6-5-17(16-21(20)28-2)22-19(4-3-9-24-22)26-14-12-25(13-15-26)18-7-10-23-11-8-18;1-16-15-17(22)4-5-19(16)21-20(3-2-8-24-21)26-13-11-25(12-14-26)18-6-9-23-10-7-18;2*21-17-5-3-16(4-6-17)20-19(2-1-9-23-20)25-14-12-24(13-15-25)18-7-10-22-11-8-18;1-26-19-15-16(4-10-22-19)20-18(3-2-7-23-20)25-13-11-24(12-14-25)17-5-8-21-9-6-17;1-26-19-5-4-16(15-23-19)20-18(3-2-8-22-20)25-13-11-24(12-14-25)17-6-9-21-10-7-17/h3-11,16H,12-15H2,1-2H3;2-10,15H,11-14H2,1H3;2*1-11H,12-15H2;2*2-10,15H,11-14H2,1H3
InChIKeyMYGWWTSORBWTPI-UHFFFAOYSA-N
MW2121.43 g/mol
LogP21.40
Rot. Bonds22

About 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine

1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine (PubChem CID 159706491) has the molecular formula C123H125Cl2FN26O4 and a molecular weight of 2121.43 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine
PubChem CID159706491
Molecular FormulaC123H125Cl2FN26O4
Molecular Weight2121.43 g/mol
Exact Mass2118.97
IUPAC Name1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine
SMILESCOc1cc(-c2ncccc2N2CCN(c3ccncc3)CC2)ccn1.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1OC.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cn1.Cc1cc(Cl)ccc1-c1ncccc1N1CCN(c2ccncc2)CC1.Clc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.Fc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C22H24N4O2.C21H21ClN4.C20H19ClN4.C20H19FN4.2C20H21N5O/c1-27-20-6-5-17(16-21(20)28-2)22-19(4-3-9-24-22)26-14-12-25(13-15-26)18-7-10-23-11-8-18;1-16-15-17(22)4-5-19(16)21-20(3-2-8-24-21)26-13-11-25(12-14-26)18-6-9-23-10-7-18;2*21-17-5-3-16(4-6-17)20-19(2-1-9-23-20)25-14-12-24(13-15-25)18-7-10-22-11-8-18;1-26-19-15-16(4-10-22-19)20-18(3-2-7-23-20)25-13-11-24(12-14-25)17-5-8-21-9-6-17;1-26-19-5-4-16(15-23-19)20-18(3-2-8-22-20)25-13-11-24(12-14-25)17-6-9-21-10-7-17/h3-11,16H,12-15H2,1-2H3;2-10,15H,11-14H2,1H3;2*1-11H,12-15H2;2*2-10,15H,11-14H2,1H3
InChIKeyMYGWWTSORBWTPI-UHFFFAOYSA-N
XLogP21.40
TPSA256.26 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002121.43
LogP ≤ 521.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

CID 158718040
CID 158718040
CID 161031809
CID 161031809
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-2,2,2-trifluoro-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-2,2,2-trifluoro-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]propan-2-amine;N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]propan-2-amine;N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]propan-2-amine;(1R)-N-methyl-1-(4-methylphenyl)-1-pyridin-2-yl-N-[[1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]methanamine
CID 161397764
9,10-Dimethoxy-1-(3,4-dimethoxyphenyl)-3-(4-chlorophenyl)pyrazino[2,1-a]isoquinolin-5-ium bromide
CID 11548655
Tris(4-[4-methyl-2,2'-bipyridyl]methyl)cyclotriguaiacylene ether clathrate
CID 139113112
4-[[4-(2-Chlorophenyl)piperazin-1-yl]methyl]-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 13560535
N-[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 18174161
N-[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174162
1-[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 18174309
1-[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174310
4-[[4-(3-Chlorophenyl)piperazin-1-yl]methyl]-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 20255267
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 137527830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine (CID 159706491) is 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine is COc1cc(-c2ncccc2N2CCN(c3ccncc3)CC2)ccn1.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1OC.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cn1.Cc1cc(Cl)ccc1-c1ncccc1N1CCN(c2ccncc2)CC1.Clc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.Fc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The InChIKey is MYGWWTSORBWTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.C21H21ClN4.C20H19ClN4.C20H19FN4.2C20H21N5O/c1-27-20-6-5-17(16-21(20)28-2)22-19(4-3-9-24-22)26-14-12-25(13-15-26)18-7-10-23-11-8-18;1-16-15-17(22)4-5-19(16)21-20(3-2-8-24-21)26-13-11-25(12-14-26)18-6-9-23-10-7-18;2*21-17-5-3-16(4-6-17)20-19(2-1-9-23-20)25-14-12-24(13-15-25)18-7-10-22-11-8-18;1-26-19-15-16(4-10-22-19)20-18(3-2-7-23-20)25-13-11-24(12-14-25)17-5-8-21-9-6-17;1-26-19-5-4-16(15-23-19)20-18(3-2-8-22-20)25-13-11-24(12-14-25)17-6-9-21-10-7-17/h3-11,16H,12-15H2,1-2H3;2-10,15H,11-14H2,1H3;2*1-11H,12-15H2;2*2-10,15H,11-14H2,1H3.
What are the key properties of 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine?
1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine has a molecular weight of 2121.43 g/mol, XLogP of 21.40, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(4-fluorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2-methoxy-4-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(6-methoxy-3-pyridinyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 159706491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).