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

C53H59F7N8O — CID 158194115

IUPAC4-(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
SMILESCOc1ccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)cc1.Nc1c(-c2cccc(F)c2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H31F3N4O.C26H28F4N4/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;27-21-7-3-5-19(17-21)23-10-11-32-24(25(23)31)9-1-2-12-33-13-15-34(16-14-33)22-8-4-6-20(18-22)26(28,29)30/h4-6,8-13,19H,2-3,7,14-18,31H2,1H3;3-8,10-11,17-18H,1-2,9,12-16,31H2
InChIKeyGACZSPQUNLPQEY-UHFFFAOYSA-N
MW957.10 g/mol
LogP11.14
Rot. Bonds15

About 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

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 (PubChem CID 158194115) has the molecular formula C53H59F7N8O and a molecular weight of 957.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158194115
Molecular FormulaC53H59F7N8O
Molecular Weight957.10 g/mol
Exact Mass956.47
IUPAC Name4-(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
SMILESCOc1ccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)cc1.Nc1c(-c2cccc(F)c2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H31F3N4O.C26H28F4N4/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;27-21-7-3-5-19(17-21)23-10-11-32-24(25(23)31)9-1-2-12-33-13-15-34(16-14-33)22-8-4-6-20(18-22)26(28,29)30/h4-6,8-13,19H,2-3,7,14-18,31H2,1H3;3-8,10-11,17-18H,1-2,9,12-16,31H2
InChIKeyGACZSPQUNLPQEY-UHFFFAOYSA-N
XLogP11.14
TPSA100.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.10
LogP ≤ 511.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
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4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
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2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1,5-naphthyridine
CID 145949357
US9802918, Example 83
CID 124089802
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
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1-(4-Methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f][1,7]naphthyridine
CID 137651725
6-(4-(tert-Butyl)phenyl)-5-(4-methoxyphenyl)-4-phenyl-3-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341883
3-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-5-phenyl-6-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341899
2,6-Dipyridin-2-yl-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)pyridine
CID 85844202
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CID 102430685
N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline
CID 102430687
4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132597360

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)cc1.Nc1c(-c2cccc(F)c2)ccnc1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 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?
The InChIKey is GACZSPQUNLPQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O.C26H28F4N4/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;27-21-7-3-5-19(17-21)23-10-11-32-24(25(23)31)9-1-2-12-33-13-15-34(16-14-33)22-8-4-6-20(18-22)26(28,29)30/h4-6,8-13,19H,2-3,7,14-18,31H2,1H3;3-8,10-11,17-18H,1-2,9,12-16,31H2.
What are the key properties of 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?
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 has a molecular weight of 957.10 g/mol, XLogP of 11.14, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158194115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).