methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C59H72F6N8O2 — CID 158170087

IUPACmethane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESC.C.Cc1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)ccc1C1CCN(C)CC1.Cc1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)ccc1C1CCNCC1
InChIInChI=1S/C29H33F3N4O.C28H31F3N4O.2CH4/c1-19-15-20(7-9-24(19)22-11-13-36(2)14-12-22)16-28-34-18-25(29(30,31)32)26(35-28)10-8-21-5-3-4-6-23(21)17-27(33)37;1-18-14-19(6-8-23(18)21-10-12-33-13-11-21)15-27-34-17-24(28(29,30)31)25(35-27)9-7-20-4-2-3-5-22(20)16-26(32)36;;/h3-7,9,15,18,22H,8,10-14,16-17H2,1-2H3,(H2,33,37);2-6,8,14,17,21,33H,7,9-13,15-16H2,1H3,(H2,32,36);2*1H4
InChIKeyFXIPGLOKSGHLKX-UHFFFAOYSA-N
MW1039.27 g/mol
LogP10.96
Rot. Bonds16

About methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 158170087) has the molecular formula C59H72F6N8O2 and a molecular weight of 1039.27 g/mol. Its IUPAC name is methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Namemethane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID158170087
Molecular FormulaC59H72F6N8O2
Molecular Weight1039.27 g/mol
Exact Mass1038.57
IUPAC Namemethane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESC.C.Cc1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)ccc1C1CCN(C)CC1.Cc1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)ccc1C1CCNCC1
InChIInChI=1S/C29H33F3N4O.C28H31F3N4O.2CH4/c1-19-15-20(7-9-24(19)22-11-13-36(2)14-12-22)16-28-34-18-25(29(30,31)32)26(35-28)10-8-21-5-3-4-6-23(21)17-27(33)37;1-18-14-19(6-8-23(18)21-10-12-33-13-11-21)15-27-34-17-24(28(29,30)31)25(35-27)9-7-20-4-2-3-5-22(20)16-26(32)36;;/h3-7,9,15,18,22H,8,10-14,16-17H2,1-2H3,(H2,33,37);2-6,8,14,17,21,33H,7,9-13,15-16H2,1H3,(H2,32,36);2*1H4
InChIKeyFXIPGLOKSGHLKX-UHFFFAOYSA-N
XLogP10.96
TPSA153.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.27
LogP ≤ 510.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Related Compounds

Flumatinib
CID 46848036
N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
CID 9807952
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-(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-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164696
2-(2-(2-(2-((4-(Piperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 68282490
2-(2-(2-(2-((4-(4-Aminopiperidin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 71208942
2-[2-[2-[2-[4-(1-Acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 71209233
2-(2-(2-(2-((4-(1-Ethylpiperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 71209362

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 158170087) is methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is C.C.Cc1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)ccc1C1CCN(C)CC1.Cc1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)ccc1C1CCNCC1.
What is the InChIKey of methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is FXIPGLOKSGHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N4O.C28H31F3N4O.2CH4/c1-19-15-20(7-9-24(19)22-11-13-36(2)14-12-22)16-28-34-18-25(29(30,31)32)26(35-28)10-8-21-5-3-4-6-23(21)17-27(33)37;1-18-14-19(6-8-23(18)21-10-12-33-13-11-21)15-27-34-17-24(28(29,30)31)25(35-27)9-7-20-4-2-3-5-22(20)16-26(32)36;;/h3-7,9,15,18,22H,8,10-14,16-17H2,1-2H3,(H2,33,37);2-6,8,14,17,21,33H,7,9-13,15-16H2,1H3,(H2,32,36);2*1H4.
What are the key properties of methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 1039.27 g/mol, XLogP of 10.96, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-[2-[2-[[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(3-methyl-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 158170087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).