tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate

C24H31F3N4O4 — CID 140688872

IUPACtert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
SMILESCc1ncc(C(C)(O)COc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C24H31F3N4O4/c1-15-28-13-17(23(5,33)14-34-19-8-6-7-18(30-19)24(25,26)27)20(29-15)16-9-11-31(12-10-16)21(32)35-22(2,3)4/h6-8,13,16,33H,9-12,14H2,1-5H3
InChIKeyDSKDLECVJJUHGW-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.60
Rot. Bonds5

About tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 140688872) has the molecular formula C24H31F3N4O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID140688872
Molecular FormulaC24H31F3N4O4
Molecular Weight496.53 g/mol
Exact Mass496.23
IUPAC Nametert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
SMILESCc1ncc(C(C)(O)COc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C24H31F3N4O4/c1-15-28-13-17(23(5,33)14-34-19-8-6-7-18(30-19)24(25,26)27)20(29-15)16-9-11-31(12-10-16)21(32)35-22(2,3)4/h6-8,13,16,33H,9-12,14H2,1-5H3
InChIKeyDSKDLECVJJUHGW-UHFFFAOYSA-N
XLogP4.60
TPSA97.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-[1,1-difluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylsulfanylpyrimidin-4-yl]piperidine-1-carboxylate
CID 140688909
4-[5-[1,1-difluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylsulfanylpyrimidin-4-yl]piperidine-1-carboxylic acid
CID 118377867
4-chloro-2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-ol
CID 90101002
tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 118391853
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide
CID 118377868
4-[2-amino-5-[1,1-difluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-yl]-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 118378186
N-(2,6-difluorophenyl)-N'-methyl-4-[2-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]oxetan-2-yl]pyrimidin-4-yl]piperidine-1-carboximidamide
CID 144611039
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
N-(2,6-difluorophenyl)-4-[5-[1,1-difluoro-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
CID 118378086
tert-butyl 4-[5-(2-diethoxyphosphorylacetyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 118391875
2-[4-[1-[3-(2,6-difluorophenyl)prop-1-en-2-yl]piperidin-4-yl]-2-methylpyrimidin-5-yl]butan-2-yl propanoate
CID 144611090

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate (CID 140688872) is tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate is Cc1ncc(C(C)(O)COc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is DSKDLECVJJUHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O4/c1-15-28-13-17(23(5,33)14-34-19-8-6-7-18(30-19)24(25,26)27)20(29-15)16-9-11-31(12-10-16)21(32)35-22(2,3)4/h6-8,13,16,33H,9-12,14H2,1-5H3.
What are the key properties of tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 496.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 140688872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).