1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone

C18H19F3N4O2 — CID 90100798

IUPAC1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
SMILESCc1ncc(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-23-9-13(17(24-11)12-5-7-22-8-6-12)14(26)10-27-16-4-2-3-15(25-16)18(19,20)21/h2-4,9,12,22H,5-8,10H2,1H3
InChIKeyOHQLMEPUQIXGQG-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone

1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone (PubChem CID 90100798) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
PubChem CID90100798
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
SMILESCc1ncc(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-23-9-13(17(24-11)12-5-7-22-8-6-12)14(26)10-27-16-4-2-3-15(25-16)18(19,20)21/h2-4,9,12,22H,5-8,10H2,1H3
InChIKeyOHQLMEPUQIXGQG-UHFFFAOYSA-N
XLogP2.93
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone with MolForge

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Related Compounds

(E)-N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide
CID 155347461
(E)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide
CID 156058557
N-(3-methoxybenzyl)-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
CID 1485637
N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71451076
N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
2-amino-N-[4-[[3-[6-methyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 71544468
6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 72202159
5-(Pyrimidin-5-yl)-6-(tetrahydro-2h-pyran-4-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72203420
US11072585, Example 88
CID 122516933
US11072585, Example 39
CID 122536455
US11299488, Example 65
CID 146586006
US11299488, Example 43
CID 153496213

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The IUPAC name of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone (CID 90100798) is 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone.
What is the SMILES notation for 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The canonical SMILES for 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone is Cc1ncc(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1.
What is the InChIKey of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The InChIKey is OHQLMEPUQIXGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11-23-9-13(17(24-11)12-5-7-22-8-6-12)14(26)10-27-16-4-2-3-15(25-16)18(19,20)21/h2-4,9,12,22H,5-8,10H2,1H3.
What are the key properties of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone has a molecular weight of 380.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone is sourced from PubChem (CID 90100798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).