2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C56H61F6N7O2 — CID 158150027

IUPAC2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCN1CCCCC1c1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)cc1.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C28H31F3N4O.C28H30F3N3O/c1-35-15-5-4-8-25(35)21-11-9-19(10-12-21)16-27-33-18-23(28(29,30)31)24(34-27)14-13-20-6-2-3-7-22(20)17-26(32)36;29-28(30,31)24-18-33-27(16-19-10-12-22(13-11-19)20-6-2-1-3-7-20)34-25(24)15-14-21-8-4-5-9-23(21)17-26(32)35/h2-3,6-7,9-12,18,25H,4-5,8,13-17H2,1H3,(H2,32,36);4-5,8-13,18,20H,1-3,6-7,14-17H2,(H2,32,35)
InChIKeyFUZLLTNXMGFSSI-UHFFFAOYSA-N
MW978.14 g/mol
LogP11.00
Rot. Bonds16

About 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 158150027) has the molecular formula C56H61F6N7O2 and a molecular weight of 978.14 g/mol. Its IUPAC name is 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID158150027
Molecular FormulaC56H61F6N7O2
Molecular Weight978.14 g/mol
Exact Mass977.48
IUPAC Name2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCN1CCCCC1c1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)cc1.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C28H31F3N4O.C28H30F3N3O/c1-35-15-5-4-8-25(35)21-11-9-19(10-12-21)16-27-33-18-23(28(29,30)31)24(34-27)14-13-20-6-2-3-7-22(20)17-26(32)36;29-28(30,31)24-18-33-27(16-19-10-12-22(13-11-19)20-6-2-1-3-7-20)34-25(24)15-14-21-8-4-5-9-23(21)17-26(32)35/h2-3,6-7,9-12,18,25H,4-5,8,13-17H2,1H3,(H2,32,36);4-5,8-13,18,20H,1-3,6-7,14-17H2,(H2,32,35)
InChIKeyFUZLLTNXMGFSSI-UHFFFAOYSA-N
XLogP11.00
TPSA140.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.14
LogP ≤ 511.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Related Compounds

US10251893, Cpd 123
CID 46926660
US10251893, Cpd 121
CID 58447758
N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl)acetamide
CID 58447882
2-(2-(2-(2-((2-Ethyl-4-(piperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60162246
2-(2-(2-(2-((4-(Piperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164480
2-(2-(2-(2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164481
2-(2-(2-(2-((4-(Piperidin-3-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164586
2-(2-(2-(2-((4-(1-Methylpiperidin-3-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164587
2-(2-(2-(2-((4-(Piperidin-2-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164588
2-(2-(2-(2-((4-(4-Ethylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164589
2-(2-(2-(2-((4-(Piperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164696
2-(2-(2-(2-((4-((4-Methylpiperazin-1-yl)methyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164911

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 158150027) is 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is CN1CCCCC1c1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)cc1.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is FUZLLTNXMGFSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O.C28H30F3N3O/c1-35-15-5-4-8-25(35)21-11-9-19(10-12-21)16-27-33-18-23(28(29,30)31)24(34-27)14-13-20-6-2-3-7-22(20)17-26(32)36;29-28(30,31)24-18-33-27(16-19-10-12-22(13-11-19)20-6-2-1-3-7-20)34-25(24)15-14-21-8-4-5-9-23(21)17-26(32)35/h2-3,6-7,9-12,18,25H,4-5,8,13-17H2,1H3,(H2,32,36);4-5,8-13,18,20H,1-3,6-7,14-17H2,(H2,32,35).
What are the key properties of 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 978.14 g/mol, XLogP of 11.00, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(4-cyclohexylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[4-(1-methylpiperidin-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 158150027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).