4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine

C51H58F6N8OS — CID 161290455

IUPAC4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
SMILESCOc1ccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)cc1.Nc1c(-c2ccsc2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H31F3N4O.C24H27F3N4S/c1-35-23-10-8-20(9-11-23)24-12-13-32-25(26(24)31)7-2-3-14-33-15-17-34(18-16-33)22-6-4-5-21(19-22)27(28,29)30;25-24(26,27)19-4-3-5-20(16-19)31-13-11-30(12-14-31)10-2-1-6-22-23(28)21(7-9-29-22)18-8-15-32-17-18/h4-6,8-13,19H,2-3,7,14-18,31H2,1H3;3-5,7-9,15-17H,1-2,6,10-14,28H2
InChIKeyVGGVNOCMWCUIJS-UHFFFAOYSA-N
MW945.14 g/mol
LogP11.06
Rot. Bonds15

About 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine

4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine (PubChem CID 161290455) has the molecular formula C51H58F6N8OS and a molecular weight of 945.14 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
PubChem CID161290455
Molecular FormulaC51H58F6N8OS
Molecular Weight945.14 g/mol
Exact Mass944.44
IUPAC Name4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
SMILESCOc1ccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)cc1.Nc1c(-c2ccsc2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H31F3N4O.C24H27F3N4S/c1-35-23-10-8-20(9-11-23)24-12-13-32-25(26(24)31)7-2-3-14-33-15-17-34(18-16-33)22-6-4-5-21(19-22)27(28,29)30;25-24(26,27)19-4-3-5-20(16-19)31-13-11-30(12-14-31)10-2-1-6-22-23(28)21(7-9-29-22)18-8-15-32-17-18/h4-6,8-13,19H,2-3,7,14-18,31H2,1H3;3-5,7-9,15-17H,1-2,6,10-14,28H2
InChIKeyVGGVNOCMWCUIJS-UHFFFAOYSA-N
XLogP11.06
TPSA100.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.14
LogP ≤ 511.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine 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-Methoxyphenyl)-3-thiophen-2-ylbenzo[f][1,7]naphthyridine
CID 137652285
1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 146605746
2-[2-Methoxy-5-[4-[3,3,4,4,5,5,6,6-octafluoro-2-[5-(4-methoxy-3-pyridin-2-ylphenyl)thiophen-3-yl]cyclohexen-1-yl]thiophen-2-yl]phenyl]pyridine
CID 166754522
5-(4-Methoxyphenyl)-4-thiophen-2-yl-2-(trifluoromethyl)pyridine
CID 176236910
4-[(E)-2-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethenyl]-2-[4-[(E)-2-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethenyl]-2-pyridinyl]pyridine
CID 101563264
N,N-bis(4-methoxyphenyl)-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline
CID 101806445
N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline
CID 119057292
4-(3-Methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-(3-methylphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 157861808
4-(3-Fluorophenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 158194115
4-(4-Methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine
CID 58234812
4-(4-Methoxyphenyl)-2-pyridin-2-yl-6-thiophen-2-ylpyridine
CID 68341911
5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine
CID 129061228

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine (CID 161290455) is 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine is COc1ccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)cc1.Nc1c(-c2ccsc2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
The InChIKey is VGGVNOCMWCUIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O.C24H27F3N4S/c1-35-23-10-8-20(9-11-23)24-12-13-32-25(26(24)31)7-2-3-14-33-15-17-34(18-16-33)22-6-4-5-21(19-22)27(28,29)30;25-24(26,27)19-4-3-5-20(16-19)31-13-11-30(12-14-31)10-2-1-6-22-23(28)21(7-9-29-22)18-8-15-32-17-18/h4-6,8-13,19H,2-3,7,14-18,31H2,1H3;3-5,7-9,15-17H,1-2,6,10-14,28H2.
What are the key properties of 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine has a molecular weight of 945.14 g/mol, XLogP of 11.06, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine is sourced from PubChem (CID 161290455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).