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

C48H54F6N8OS — CID 159418970

IUPAC4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
SMILESNc1c(-c2ccco2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Nc1c(-c2cccs2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H27F3N4O.C24H27F3N4S/c2*25-24(26,27)18-5-3-6-19(17-18)31-14-12-30(13-15-31)11-2-1-7-21-23(28)20(9-10-29-21)22-8-4-16-32-22/h2*3-6,8-10,16-17H,1-2,7,11-15,28H2
InChIKeyLPNFRWLKSXLDMC-UHFFFAOYSA-N
MW905.07 g/mol
LogP10.64
Rot. Bonds14

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

4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine (PubChem CID 159418970) has the molecular formula C48H54F6N8OS and a molecular weight of 905.07 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
PubChem CID159418970
Molecular FormulaC48H54F6N8OS
Molecular Weight905.07 g/mol
Exact Mass904.40
IUPAC Name4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
SMILESNc1c(-c2ccco2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Nc1c(-c2cccs2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H27F3N4O.C24H27F3N4S/c2*25-24(26,27)18-5-3-6-19(17-18)31-14-12-30(13-15-31)11-2-1-7-21-23(28)20(9-10-29-21)22-8-4-16-32-22/h2*3-6,8-10,16-17H,1-2,7,11-15,28H2
InChIKeyLPNFRWLKSXLDMC-UHFFFAOYSA-N
XLogP10.64
TPSA103.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.07
LogP ≤ 510.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine with MolForge

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 69247317
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
4-(Furan-2-yl)-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 157947510
Ethane;methane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 158587620
1,2-Ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);2,3-ditert-butylthiophene
CID 158722519
2,3-Ditert-butylfuran;2,3-ditert-butylpyrazine;2,3-ditert-butylthiophene;bis(2,3-di(propan-2-yl)pyridine)
CID 159041552
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)
CID 159189407
2-(4-Fluorophenyl)-4-methylpyridine;2-(4-fluorophenyl)-6-methylpyridine;3-(4-fluorophenyl)-5-methylpyridine;4-(4-fluorophenyl)-2-methylpyridine;3-(furan-3-yl)-5-methylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;3-methyl-5-thiophen-2-ylpyridine;3-methyl-5-thiophen-3-ylpyridine
CID 160084047
Ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 160754925
Cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 161043689
5-(Furan-2-yl)-8-thiophen-2-ylquinoxaline
CID 164029288

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
The IUPAC name of 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine (CID 159418970) is 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine.
What is the SMILES notation for 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
The canonical SMILES for 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine is Nc1c(-c2ccco2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Nc1c(-c2cccs2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
The InChIKey is LPNFRWLKSXLDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O.C24H27F3N4S/c2*25-24(26,27)18-5-3-6-19(17-18)31-14-12-30(13-15-31)11-2-1-7-21-23(28)20(9-10-29-21)22-8-4-16-32-22/h2*3-6,8-10,16-17H,1-2,7,11-15,28H2.
What are the key properties of 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine?
4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine has a molecular weight of 905.07 g/mol, XLogP of 10.64, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine is sourced from PubChem (CID 159418970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).